DrugBank ID	Drug Name	Target ID	Gene Symbol	UniProt ID	UniProt Entry	Regulation Type	PubMed IDs	Citations	Groups	Direct Classification	Detailed Classification	Categories	SMILES	PubChem ID	Pathways	Pathway Sources	KEGG Pathway IDs	DPD	PubChem Substance	KEGG Drug	PharmGKB	UniProtKB	TTD	Wikipedia	ChEMBL	RxCUI
DB00002	Cetuximab	BE0000767	EGFR	P00533	EGFR_HUMAN	binder	11752352; 15821783	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Harding J, Burtness B: Cetuximab: an epidermal growth factor receptor chemeric human-murine monoclonal antibody. Drugs Today (Barc). 2005 Feb;41(2):107-27. doi: 10.1358/dot.2005.41.2.882662."	Approved	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; Antibodies, Monoclonal, Humanized; EGFR (Epidermal Growth Factor Receptor) inhibitors; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; HER1 Antagonists; Proteins; Antineoplastic Agents; Immunoglobulins; Antineoplastic Agents, Immunological; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic and Immunomodulating Agents; Epidermal Growth Factor Receptor Antagonist; Narrow Therapeutic Index Drugs; Blood Proteins"			Cetuximab Action Pathway	drug_action		13175	46507042	D03455	PA10040		DNC000788	Cetuximab	CHEMBL1201577	318341
DB00114	Pyridoxal phosphate	BE0000602	GAD2	Q05329	DCE2_HUMAN	cofactor	10978228	"Cormier-Daire V, Dagoneau N, Nabbout R, Burglen L, Penet C, Soufflet C, Desguerre I, Munnich A, Dulac O: A gene for pyridoxine-dependent epilepsy maps to chromosome 5q31. Am J Hum Genet. 2000 Oct;67(4):991-3. Epub 2000 Sep 7."	Approved; Investigational; Nutraceutical	Pyridoxals and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes	Supplements; Physiological Phenomena; Vitamins; Vitamin B Complex; Coenzymes; Enzymes and Coenzymes; Food; Picolines; Dietary Supplements; Alimentary Tract and Metabolism; Pyridines; Micronutrients	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O		Histidinemia; 3-Methylglutaconic Aciduria Type I; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); beta-Ketothiolase Deficiency; Tyrosine Metabolism; Disulfiram Action Pathway; Hyperprolinemia Type II; Glutamate Metabolism; Argininosuccinic Aciduria; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; Porphyrin Metabolism; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Taurine and Hypotaurine Metabolism; Catecholamine Biosynthesis; Glycine and Serine Metabolism; Carnitine Synthesis; Tyrosinemia Type 3 (TYRO3); Selenoamino Acid Metabolism; Carbamoyl Phosphate Synthetase Deficiency; Hyperprolinemia Type I; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Cystathionine beta-Synthase Deficiency; Arginine and Proline Metabolism; Starch and Sucrose Metabolism; Globoid Cell Leukodystrophy; Ammonia Recycling	disease; metabolic; drug_action			46506428	D00006	PA164749650		DNC001499	Pyridoxal_phosphate	CHEMBL82202	9004
DB00142	Glutamic acid	BE0000602	GAD2	Q05329	DCE2_HUMAN		16879709; 17600364; 17317763; 16643338; 17507169	"Wei J, Lin CH, Wu H, Jin Y, Lee YH, Wu JY: Activity-dependent cleavage of brain glutamic acid decarboxylase 65 by calpain. J Neurochem. 2006 Sep;98(5):1688-95. Epub 2006 Jul 31.@@Manto MU, Laute MA, Aguera M, Rogemond V, Pandolfo M, Honnorat J: Effects of anti-glutamic acid decarboxylase antibodies associated with neurological diseases. Ann Neurol. 2007 Jun;61(6):544-51.@@Pop SM, Wong CP, He Q, Wang Y, Wallet MA, Goudy KS, Tisch R: The type and frequency of immunoregulatory CD4+ T-cells govern the efficacy of antigen-specific immunotherapy in nonobese diabetic mice. Diabetes. 2007 May;56(5):1395-402. Epub 2007 Feb 22.@@Wang FY, Zhu RM, Maemura K, Hirata I, Katsu K, Watanabe M: Expression of gamma-aminobutyric acid and glutamic acid decarboxylases in rat descending colon and their relation to epithelial differentiation. Chin J Dig Dis. 2006;7(2):103-8.@@Castelli MP, Piras AP, Melis T, Succu S, Sanna F, Melis MR, Collu S, Ennas MG, Diaz G, Mackie K, Argiolas A: Cannabinoid CB1 receptors in the paraventricular nucleus and central control of penile erection: immunocytochemistry, autoradiography and behavioral studies. Neuroscience. 2007 Jun 15;147(1):197-206. Epub 2007 May 15."	Approved; Nutraceutical	Glutamic acid and derivatives	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"	"Supplements; Amino Acids; Proteinogenic Amino Acids; Amino Acids, Dicarboxylic; Amino Acids, Acidic; Digestives, Incl. Enzymes; Glutamates; Excitatory Amino Acids; Gastrointestinal Agents; Dietary Supplements; Amino Acids, Peptides, and Proteins; Gastrointestinal Acidifying Agents; Alimentary Tract and Metabolism; Acid Preparations"	N[C@@H](CCC(O)=O)C(O)=O		Histidinemia; Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency); 3-Methylglutaconic Aciduria Type I; beta-Ketothiolase Deficiency; Purine Nucleoside Phosphorylase Deficiency; Tyrosine Metabolism; Ketoprofen Action Pathway; Glutamate Metabolism; Argininosuccinic Aciduria; Salla Disease/Infantile Sialic Acid Storage Disease; Tyrosinemia Type I; Hyperinsulinism-Hyperammonemia Syndrome; 2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency; Glutaric Aciduria Type I; Propanoate Metabolism; Celecoxib Action Pathway; Glycine and Serine Metabolism; Suprofen Action Pathway; Indomethacin Action Pathway; Carbamoyl Phosphate Synthetase Deficiency; Sialuria or French Type Sialuria; Ibuprofen Action Pathway; Saccharopinuria/Hyperlysinemia II; Histidine Metabolism; Arginine and Proline Metabolism; Purine Metabolism; Diflunisal Action Pathway; Etodolac Action Pathway; Ammonia Recycling	disease; metabolic; drug_action		14451	46505816	D00007	PA449776		DAP000015	Glutamic_acid	CHEMBL575060	25916
DB00144	Phosphatidyl serine	BE0001132	PRKCA	P17252	KPCA_HUMAN		12269833; 14698304; 16114872; 17367165	"Yu D, Kazanietz MG, Harvey RG, Penning TM: Polycyclic aromatic hydrocarbon o-quinones inhibit the activity of the catalytic fragment of protein kinase C. Biochemistry. 2002 Oct 1;41(39):11888-94.@@Rodriguez-Alfaro JA, Gomez-Fernandez JC, Corbalan-Garcia S: Role of the lysine-rich cluster of the C2 domain in the phosphatidylserine-dependent activation of PKCalpha. J Mol Biol. 2004 Jan 23;335(4):1117-29.@@Lopez-Andreo MJ, Torrecillas A, Conesa-Zamora P, Corbalan-Garcia S, Gomez-Fernandez JC: Retinoic acid as a modulator of the activity of protein kinase Calpha. Biochemistry. 2005 Aug 30;44(34):11353-60.@@Corbin JA, Evans JH, Landgraf KE, Falke JJ: Mechanism of specific membrane targeting by C2 domains: localized pools of target lipids enhance Ca2+ affinity. Biochemistry. 2007 Apr 10;46(14):4322-36. Epub 2007 Mar 17."	Investigational; Nutraceutical			Phosphatidylserines; Phosphatidic Acids; Phospholipids; Supplements; Lipids; Glycerophospholipids; Dietary Supplements; Glycerophosphates; Membrane Lipids	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC		"Phosphatidylcholine Biosynthesis PC(14:0/20:0); Phosphatidylcholine Biosynthesis PC(14:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/20:3(8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/16:0); Phosphatidylcholine Biosynthesis PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:2(11Z,14Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/22:2(13Z,16Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/24:0); Phosphatidylcholine Biosynthesis PC(14:0/15:0); Phosphatidylcholine Biosynthesis PC(15:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:4(5Z,8Z,11Z,14Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); Phosphatidylcholine Biosynthesis PC(14:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(16:0/16:0); Phosphatidylcholine Biosynthesis PC(16:0/14:0); Phosphatidylcholine Biosynthesis PC(15:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:0/22:5(4Z,7Z,10Z,13Z,16Z)); Phosphatidylcholine Biosynthesis PC(15:0/22:0); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/14:0); Phosphatidylcholine Biosynthesis PC(15:0/20:1(11Z)); Phosphatidylcholine Biosynthesis PC(14:0/18:2(9Z,12Z)); Phosphatidylcholine Biosynthesis PC(14:0/14:0); Phosphatidylcholine Biosynthesis PC(14:0/16:1(9Z)); Phosphatidylcholine Biosynthesis PC(16:0/18:1(9Z)); Phosphatidylcholine Biosynthesis PC(15:0/18:0); Phosphatidylcholine Biosynthesis PC(16:0/14:1(9Z)); Phosphatidylcholine Biosynthesis PC(14:1(9Z)/18:3(9Z,12Z,15Z))"	metabolic			46505650		PA164768860			Phosphatidylserine	CHEMBL4297669	89959
DB00157	NADH	BE0000328	ME3	Q16798	MAON_HUMAN		16740313; 17080607; 17603759	"Luo C, Wang X, Long J, Liu J: An NADH-tetrazolium-coupled sensitive assay for malate dehydrogenase in mitochondria and crude tissue homogenates. J Biochem Biophys Methods. 2006 Aug 31;68(2):101-11. Epub 2006 Apr 26.@@Wei H, Dhanaraj AL, Arora R, Rowland LJ, Fu Y, Sun L: Identification of cold acclimation-responsive Rhododendron genes for lipid metabolism, membrane transport and lignin biosynthesis: importance of moderately abundant ESTs in genomic studies. Plant Cell Environ. 2006 Apr;29(4):558-70.@@Rzem R, Vincent MF, Van Schaftingen E, Veiga-da-Cunha M: L-2-hydroxyglutaric aciduria, a defect of metabolite repair. J Inherit Metab Dis. 2007 Oct;30(5):681-9. Epub 2007 Jun 21."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00157	NADH	BE0000093	NDUFS6	O75380	NDUS6_HUMAN		17139284; 17016423	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34."	Approved; Nutraceutical	(5'->5')-dinucleotides	"Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides"	"Supplements; Adenine Nucleotides; Heterocyclic Compounds, Fused-Ring; Coenzymes; Purine Nucleotides; Purines; Ribonucleotides; Enzymes and Coenzymes; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides; Dietary Supplements"	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O		"Ethylmalonic Encephalopathy; 3-Methylglutaconic Aciduria Type III; Short-Chain Acyl-CoA Dehydrogenase Deficiency (SCAD Deficiency); Caffeine Metabolism; Fructose and Mannose Degradation; Isovaleric Aciduria; Lysine Degradation; Methylmalonic Aciduria Due to Cobalamin-Related Disorders; Glycerol Phosphate Shuttle; Zellweger Syndrome; Propionic Acidemia; Glycolysis; Xanthine Dehydrogenase Deficiency (Xanthinuria); S-Adenosylhomocysteine (SAH) Hydrolase Deficiency; Tryptophan Metabolism; Glutaric Aciduria Type I; 3-Methylcrotonyl-CoA Carboxylase Deficiency Type I; Glycine N-Methyltransferase Deficiency; Dimethylglycine Dehydrogenase Deficiency; Androgen and Estrogen Metabolism; Nucleotide Sugars Metabolism; 3-Methylglutaconic Aciduria Type IV; Dihydropyrimidine Dehydrogenase Deficiency (DHPD); Malate-Aspartate Shuttle; Folate Metabolism; Valine, Leucine, and Isoleucine Degradation; Maple Syrup Urine Disease; Glycerol Kinase Deficiency; Adenylosuccinate Lyase Deficiency; Cysteine Metabolism"	disease; metabolic			46504879		PA164755085		DAP001291	Nicotinamide_adenine_dinucleotide	CHEMBL1234616	7222
DB00163	Vitamin E	BE0001132	PRKCA	P17252	KPCA_HUMAN		17139284; 17016423; 9430404; 11736999; 11850093	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Azzi A, Boscoboinik D, Clement S, Marilley D, Ozer NK, Ricciarelli R, Tasinato A: Alpha-tocopherol as a modulator of smooth muscle cell proliferation. Prostaglandins Leukot Essent Fatty Acids. 1997 Oct;57(4-5):507-14.@@Sylvester PW, McIntyre BS, Gapor A, Briski KP: Vitamin E inhibition of normal mammary epithelial cell growth is associated with a reduction in protein kinase C(alpha) activation. Cell Prolif. 2001 Dec;34(6):347-57.@@Huang Y, Ishizuka T, Miura A, Kajita K, Ishizawa M, Kimura M, Yamamoto Y, Kawai Y, Morita H, Uno Y, Yasuda K: Effect of 1 alpha,25-dihydroxy vitamin D3 and vitamin E on insulin-induced glucose uptake in rat adipocytes. Diabetes Res Clin Pract. 2002 Mar;55(3):175-83."	Approved; Nutraceutical; Vet_approved	Tocopherols	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids	"Supplements; Antioxidants; Vitamins; Benzopyrans; Growth Substances; Basic Ointments and Protectants; Cytochrome P-450 CYP3A Substrates; Protective Agents; Dietary Supplements; Pyrans; Cytochrome P-450 Enzyme Inducers; Vitamins (Fat Soluble); Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; Vitamin E, analogs & derivatives; Biological Factors; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamin E; Food; Cytochrome P-450 CYP3A4 Substrates; Micronutrients; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Cytochrome P-450 CYP3A Inducers"	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C					4930	46506524		PA451900			Vitamin_E	CHEMBL47	11256
DB00184	Nicotine	BE0003586	CHRNA5	P30532	ACHA5_HUMAN	agonist	19560048; 11006350; 20400469; 20081230	"Mansvelder HD, Mertz M, Role LW: Nicotinic modulation of synaptic transmission and plasticity in cortico-limbic circuits. Semin Cell Dev Biol. 2009 Jun;20(4):432-40. doi: 10.1016/j.semcdb.2009.01.007. Epub 2009 Jan 22.@@Narahashi T, Fenster CP, Quick MW, Lester RA, Marszalec W, Aistrup GL, Sattelle DB, Martin BR, Levin ED: Symposium overview: mechanism of action of nicotine on neuronal acetylcholine receptors, from molecule to behavior. Toxicol Sci. 2000 Oct;57(2):193-202.@@Jackson KJ, Marks MJ, Vann RE, Chen X, Gamage TF, Warner JA, Damaj MI: Role of alpha5 nicotinic acetylcholine receptors in pharmacological and behavioral effects of nicotine in mice. J Pharmacol Exp Ther. 2010 Jul;334(1):137-46. doi: 10.1124/jpet.110.165738. Epub  2010 Apr 16.@@Zaniewska M, Przegalinski E, Filip M: Nicotine dependence - human and animal studies, current pharmacotherapies and future perspectives. Pharmacol Rep. 2009 Nov-Dec;61(6):957-65."	Approved	Pyrrolidinylpyridines	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyrrolidinylpyridines	"OCT2 Inhibitors; Miscellaneous Autonomic Drugs; Nicotinic Agonists; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cholinergic Agents; Agents producing tachycardia; Cytochrome P-450 CYP2E1 Inducers; Autonomic Agents; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Drugs Used in Addictive Disorders; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP2E1 Inducers (strength unknown); Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Alkaloids; Solanaceous Alkaloids; Nicotine, antagonists & inhibitors; Cytochrome P-450 CYP2C19 Substrates; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Cytochrome P-450 CYP2A6 Inhibitors; Cholinergic Nicotinic Agonist; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Ganglionic Stimulants; Smoking Cessation Agents; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cholinergic Agonists; Cytochrome P-450 CYP2E1 Inhibitors; Drugs Used in Nicotine Dependence; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; OCT1 inhibitors; Ganglion Blockers; Nervous System; Cytochrome P-450 CYP1A2 Substrates; Monoamine Oxidase A Inhibitors  for interaction with Monoamine Oxidase A substrates"	CN1CCC[C@H]1C1=CN=CC=C1		Nicotine Action Pathway; Nicotine Metabolism Pathway	drug_metabolism; drug_action		4365	46506924	D03365	PA450626		DAP000175	Nicotine	CHEMBL3	31765
DB00270	Isradipine	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	inhibitor	10766758; 12135765; 9607315	"Berjukow S, Marksteiner R, Gapp F, Sinnegger MJ, Hering S: Molecular mechanism of calcium channel block by isradipine. Role of a drug-induced inactivated channel conformation. J Biol Chem. 2000 Jul 21;275(29):22114-20.@@Hitzl M, Striessnig J, Neuhuber B, Flucher BE: A mutation in the beta interaction domain of the Ca(2+) channel alpha(1C) subunit reduces the affinity of the (+)-[(3)H]isradipine binding site. FEBS Lett. 2002 Jul 31;524(1-3):188-92.@@Zuhlke RD, Bouron A, Soldatov NM, Reuter H: Ca2+ channel sensitivity towards the blocker isradipine is affected by alternative splicing of the human alpha1C subunit gene. FEBS Lett. 1998 May 8;427(2):220-4."	Approved; Investigational	Benzoxadiazoles	Organic compounds; Organoheterocyclic compounds; Benzoxadiazoles	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents	COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC2=NON=C12)C(=O)OC(C)C		Isradipine Action Pathway	drug_action			46505034	D00349	PA450131		DAP000134	Isradipine	CHEMBL1648	33910
DB00281	Lidocaine	BE0000767	EGFR	P00533	EGFR_HUMAN	antagonist	16551906	"Sakaguchi M, Kuroda Y, Hirose M: The antiproliferative effect of lidocaine on human tongue cancer cells with inhibition of the activity of epidermal growth factor receptor. Anesth Analg. 2006 Apr;102(4):1103-7."	Approved; Vet_approved	m-Xylenes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Xylenes	"Sodium Channel Blockers; Cytochrome P-450 CYP2D6 Inhibitors; Sensory System Agents; Amines; Antiarrhythmics, Class Ib; Cytochrome P-450 CYP3A Substrates; Amides; Dermatologicals; Neuraxial Anesthetics; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2B6 Substrates; Cardiovascular Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Analgesics and Anesthetics; Antipruritics and Local Anesthetics; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Anesthetics; Cytochrome P-450 CYP1A2 Inhibitors; Membrane Transport Modulators; Otologicals; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Local Anesthesia; Cytochrome P-450 CYP2D6 Substrates; Anesthetics, Local; Cytochrome P-450 CYP1A2 Inhibitors (moderate); Cytochrome P-450 CYP2A6 Substrates; Agents that reduce seizure threshold; Throat Preparations; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Anilides; Cytochrome P-450 CYP3A4 Substrates; Peripheral Nervous System Agents; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Methemoglobinemia Associated Agents; Anesthetics for Topical Use; Local Anesthetics (Amide); Antiarrhythmic agents; Aniline Compounds; Voltage-Gated Sodium Channel Blockers; Ophthalmologicals; Central Nervous System Agents; Cardiac Therapy; Cytochrome P-450 CYP2C9 Substrates; Antiarrhythmics, Class I; Nervous System; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Vasoprotectives"	CCN(CC)CC(=O)NC1=C(C)C=CC=C1C		Lidocaine (Antiarrhythmic) Action Pathway; Lidocaine (Local Anaesthetic) Metabolism Pathway; Lidocaine (Local Anaesthetic) Action Pathway	drug_metabolism; drug_action		9471	46505060	D00358	PA450226		DAP000121	Lidocaine	CHEMBL79	6387
DB00308	Ibutilide	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	activator	15926871; 9257085; 11752352	"Doggrell SA, Hancox JC: Ibutilide--recent molecular insights and accumulating evidence for use in atrial flutter and fibrillation. Expert Opin Investig Drugs. 2005 May;14(5):655-69.@@Foster RH, Wilde MI, Markham A: Ibutilide. A review of its pharmacological properties and clinical potential in the acute management of atrial flutter and fibrillation. Drugs. 1997 Aug;54(2):312-30.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Phenylbutylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines	"Antiarrhythmic agents; Cardiovascular Agents; QTc Prolonging Agents; Sulfones; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; Sulfur Compounds; Amides; Drugs that are Mainly Renally Excreted; Antiarrhythmics, Class III"	CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1		Ibutilide Action Pathway	drug_action		12005	46507904	D00648	PA449958		DAP000279	Ibutilide	CHEMBL533	41289
DB00317	Gefitinib	BE0000767	EGFR	P00533	EGFR_HUMAN	antagonist	10815932; 11522647; 11566608; 11585753; 11673690; 11752352	"Ciardiello F, Caputo R, Bianco R, Damiano V, Pomatico G, De Placido S, Bianco AR, Tortora G: Antitumor effect and potentiation of cytotoxic drugs activity in human cancer cells by ZD-1839 (Iressa), an epidermal growth factor receptor-selective tyrosine kinase inhibitor. Clin Cancer Res. 2000 May;6(5):2053-63.@@Albanell J, Codony-Servat J, Rojo F, Del Campo JM, Sauleda S, Anido J, Raspall G, Giralt J, Rosello J, Nicholson RI, Mendelsohn J, Baselga J: Activated extracellular signal-regulated kinases: association with epidermal growth factor receptor/transforming growth factor alpha expression in head and neck squamous carcinoma and inhibition by anti-epidermal growth factor receptor treatments. Cancer Res. 2001 Sep 1;61(17):6500-10.@@Nicholson RI, Hutcheson IR, Harper ME, Knowlden JM, Barrow D, McClelland RA, Jones HE, Wakeling AE, Gee JM: Modulation of epidermal growth factor receptor in endocrine-resistant, oestrogen receptor-positive breast cancer. Endocr Relat Cancer. 2001 Sep;8(3):175-82.@@Moasser MM, Basso A, Averbuch SD, Rosen N: The tyrosine kinase inhibitor ZD1839 (""Iressa"") inhibits HER2-driven signaling and suppresses the growth of HER2-overexpressing tumor cells. Cancer Res. 2001 Oct 1;61(19):7184-8.@@Arteaga CL, Johnson DH: Tyrosine kinase inhibitors-ZD1839 (Iressa). Curr Opin Oncol. 2001 Nov;13(6):491-8.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors; Cytochrome P-450 CYP2C19 Inhibitors; Quinazolines"	COC1=C(OCCCN2CCOCC2)C=C2C(NC3=CC(Cl)=C(F)C=C3)=NC=NC2=C1		Gefitinib Action Pathway	drug_action		13090	46508649	D01977	PA131301952		DAP000657	Gefitinib	CHEMBL939	328134
DB00343	Diltiazem	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	blocker	10226758	"O'Connor SE, Grosset A, Janiak P: The pharmacological basis and pathophysiological significance of the heart rate-lowering property of diltiazem. Fundam Clin Pharmacol. 1999;13(2):145-53."	Approved; Investigational	Benzothiazepines	Organic compounds; Organoheterocyclic compounds; Benzothiazepines	"Cytochrome P-450 CYP2C8 Inhibitors (moderate); Benzothiazepine Derivatives; QTc Prolonging Agents; Miscellaneous Calcium-channel Blocking Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (moderate); Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP3A7 Inhibitors (strong); Cytochrome P-450 CYP2C8 Inhibitors; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Photosensitizing Agents; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cytochrome P-450 CYP3A Inhibitors; Negative Inotrope; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Drugs causing inadvertant photosensitivity; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP3A7 Inhibitors; Benzazepines; Calcium Channel Blockers (Nondihydropyridine); Cytochrome P-450 CYP3A5 Inhibitors (moderate); Cytochrome P-450 CYP2C9 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strong); Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP3A7 Substrates; Selective Calcium Channel Blockers With Direct Cardiac Effects; Vasoprotectives"	COC1=CC=C(C=C1)[C@@H]1SC2=C(C=CC=C2)N(CCN(C)C)C(=O)[C@@H]1OC(C)=O		Diltiazem Action Pathway	drug_action		1926	46505667	D07845	PA449334		DAP001262	Diltiazem	CHEMBL23	3443
DB00381	Amlodipine	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	inhibitor	16322774; 27556947	"Bodi I, Mikala G, Koch SE, Akhter SA, Schwartz A: The L-type calcium channel in the heart: the beat goes on. J Clin Invest. 2005 Dec;115(12):3306-17. doi: 10.1172/JCI27167.@@Tang L, Gamal El-Din TM, Swanson TM, Pryde DC, Scheuer T, Zheng N, Catterall WA: Structural basis for inhibition of a voltage-gated Ca(2+) channel by Ca(2+) antagonist drugs. Nature. 2016 Sep 1;537(7618):117-121. doi: 10.1038/nature19102. Epub 2016 Aug 24."	Approved	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors (weak); Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Angiotensin II Antagonists and Calcium Channel Blockers; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Angiotensin II receptor blockers (ARBs) and calcium channel blockers; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Calcium Channel Blockers and Diuretics; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Antianginal Agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown)	CCOC(=O)C1=C(COCCN)NC(C)=C(C1C1=CC=CC=C1Cl)C(=O)OC		Amlodipine Action Pathway	drug_action		11344	46507214	D07450	PA448388		DAP000139	Amlodipine	CHEMBL1491	17767
DB00393	Nimodipine	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	inhibitor	11752352; 8731425; 20334460; 20335610; 19844625; 20661350; 17705883	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Marchetti C, Usai C: High affinity block by nimodipine of the internal calcium elevation in chronically depolarized rat cerebellar granule neurons. Neurosci Lett. 1996 Mar 29;207(2):77-80.@@Weant KA, Ramsey CN 3rd, Cook AM: Role of intraarterial therapy for cerebral vasospasm secondary to aneurysmal subarachnoid hemorrhage. Pharmacotherapy. 2010 Apr;30(4):405-17. doi: 10.1592/phco.30.4.405.@@Dong CJ, Guo Y, Agey P, Wheeler L, Hare WA: Nimodipine enhancement of alpha2 adrenergic modulation of NMDA receptor via a mechanism independent of Ca2+ channel blocking. Invest Ophthalmol Vis Sci. 2010 Aug;51(8):4174-80. doi: 10.1167/iovs.09-4613. Epub 2010 Mar 24.@@Kim JH, Park IS, Park KB, Kang DH, Hwang SH: Intraarterial nimodipine infusion to treat symptomatic cerebral vasospasm after aneurysmal subarachnoid hemorrhage. J Korean Neurosurg Soc. 2009 Sep;46(3):239-44. doi: 10.3340/jkns.2009.46.3.239. Epub 2009 Sep 30.@@Kumar R, Mehra R, Ray SB: L-type calcium channel blockers, morphine and pain: Newer insights. Indian J Anaesth. 2010 Mar;54(2):127-31. doi: 10.4103/0019-5049.63652.@@Keyrouz SG, Diringer MN: Clinical review: Prevention and therapy of vasospasm in subarachnoid hemorrhage. Crit Care. 2007;11(4):220."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Nicotinic Acids; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents	COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C		Nimodipine Action Pathway	drug_action		1910	46508497	D00438	PA450633		DAP000306	Nimodipine	CHEMBL1428	7426
DB00401	Nisoldipine	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	inhibitor	11752352; 9584217; 9846638; 7592963	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Hu H, Marban E: Isoform-specific inhibition of L-type calcium channels by dihydropyridines is independent of isoform-specific gating properties. Mol Pharmacol. 1998 May;53(5):902-7.@@Morel N, Buryi V, Feron O, Gomez JP, Christen MO, Godfraind T: The action of calcium channel blockers on recombinant L-type calcium channel alpha1-subunits. Br J Pharmacol. 1998 Nov;125(5):1005-12.@@Wei X, Pan S, Lang W, Kim H, Schneider T, Perez-Reyes E, Birnbaumer L: Molecular determinants of cardiac Ca2+ channel pharmacology. Subunit requirement for the high affinity and allosteric regulation of dihydropyridine binding. J Biol Chem. 1995 Nov 10;270(45):27106-11."	Approved	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Photosensitizing Agents; Drugs that are Mainly Renally Excreted; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Decreased Blood Pressure; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Drugs causing inadvertant photosensitivity; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates	COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)C		Nisoldipine Action Pathway	drug_action			46504546	D00618	PA450634		DAP000595	Nisoldipine	CHEMBL1726	7435
DB00530	Erlotinib	BE0000767	EGFR	P00533	EGFR_HUMAN	antagonist	12498017; 12517254; 12814826; 12820772; 12840797; 11752352	"Kim TE, Murren JR: Erlotinib OSI/Roche/Genentech. Curr Opin Investig Drugs. 2002 Sep;3(9):1385-95.@@Laird AD, Cherrington JM: Small molecule tyrosine kinase inhibitors: clinical development of anticancer agents. Expert Opin Investig Drugs. 2003 Jan;12(1):51-64.@@Delbaldo C, Faivre S, Raymond E: [Epidermal growth factor inhibitors]. Rev Med Interne. 2003 Jun;24(6):372-83.@@Bulgaru AM, Mani S, Goel S, Perez-Soler R: Erlotinib (Tarceva): a promising drug targeting epidermal growth factor receptor tyrosine kinase. Expert Rev Anticancer Ther. 2003 Jun;3(3):269-79.@@Akita RW, Sliwkowski MX: Preclinical studies with Erlotinib (Tarceva). Semin Oncol. 2003 Jun;30(3 Suppl 7):15-24.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Organic Anion Transporting Polypeptide 2B1 Inhibitors; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors; Highest Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs; Quinazolines; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong)"	COCCOC1=CC2=C(C=C1OCCOC)C(NC1=CC(=CC=C1)C#C)=NC=N2		Erlotinib Action Pathway	drug_action		12481	46508021	D07907	PA134687924		DAP001010	Erlotinib	CHEMBL553	337525
DB00568	Cinnarizine	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	inhibitor	3530295; 1281221	"Singh BN: The mechanism of action of calcium antagonists relative to their clinical applications. Br J Clin Pharmacol. 1986;21 Suppl 2:109S-121S.@@Cohen CJ, Spires S, Van Skiver D: Block of T-type Ca channels in guinea pig atrial cells by antiarrhythmic agents and Ca channel antagonists. J Gen Physiol. 1992 Oct;100(4):703-28."	Approved; Investigational			QTc Prolonging Agents; Piperazines; Cytochrome P-450 CYP3A Substrates; Histamine H1 Antagonists; Cytochrome P-450 CYP2B6 Substrates; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Histamine Antagonists; Calcium Channel Blockers; Membrane Transport Modulators; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Antivertigo Preparations; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C9 Substrates; Neurotransmitter Agents; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Histamine Agents; Nervous System; Cytochrome P-450 CYP1A2 Substrates	C(\C=C\C1=CC=CC=C1)N1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1		Cinnarizine H1-Antihistamine Action	drug_action			46506769	D01295	PA164749342		DAP000325	Cinnarizine	CHEMBL43064	2549
DB00622	Nicardipine	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	inhibitor	11752352	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Cytochrome P-450 CYP2C8 Inhibitors (moderate); Cytochrome P-450 CYP2D6 Inhibitors; OATP1B1/SLCO1B1 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP2C9 Inhibitors (strong); Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cytochrome P-450 CYP3A5 Inhibitors; Dihydropyridine Derivatives; Pyridines; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Anticholinergic Agents; Potential QTc-Prolonging Agents; Adrenergic Antagonists; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Muscarinic Antagonists; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents	COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1					1293	46504482		PA450620		DAP000486	Nicardipine	CHEMBL1484	7396
DB00630	Alendronic acid	BE0003567	PTPRS	Q13332	PTPRS_HUMAN	inhibitor	9310349; 8610169; 11752352	"Opas EE, Rutledge SJ, Golub E, Stern A, Zimolo Z, Rodan GA, Schmidt A: Alendronate inhibition of protein-tyrosine-phosphatase-meg1. Biochem Pharmacol. 1997 Sep 15;54(6):721-7.@@Schmidt A, Rutledge SJ, Endo N, Opas EE, Tanaka H, Wesolowski G, Leu CT, Huang Z, Ramachandaran C, Rodan SB, Rodan GA: Protein-tyrosine phosphatase activity regulates osteoclast formation and function: inhibition by alendronate. Proc Natl Acad Sci U S A. 1996 Apr 2;93(7):3068-73.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved	Bisphosphonates	Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates	Agents Causing Muscle Toxicity; Organophosphonates; Musculo-Skeletal System; Organophosphorus Compounds; Bone Density Conservation Agents; Bisphosphonates; Drugs Affecting Bone Structure and Mineralization; Drugs for Treatment of Bone Diseases	NCCCC(O)(P(O)(O)=O)P(O)(O)=O		Alendronate Action Pathway	drug_action		13353	46507199		PA448082		DAP000182	Alendronic_acid	CHEMBL870	236083
DB00661	Verapamil	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	inhibitor	15286207; 9846638; 15880143; 19125880	"Dilmac N, Hilliard N, Hockerman GH: Molecular determinants of frequency dependence and Ca2+ potentiation of verapamil block in the pore region of Cav1.2. Mol Pharmacol. 2004 Nov;66(5):1236-47. Epub 2004 Jul 30.@@Morel N, Buryi V, Feron O, Gomez JP, Christen MO, Godfraind T: The action of calcium channel blockers on recombinant L-type calcium channel alpha1-subunits. Br J Pharmacol. 1998 Nov;125(5):1005-12.@@Patel MK, Clunn GF, Lymn JS, Austin O, Hughes AD: Effect of serum withdrawal on the contribution of L-type calcium channels (CaV1.2) to intracellular Ca2+ responses and chemotaxis in cultured human vascular smooth muscle cells. Br J Pharmacol. 2005 Jul;145(6):811-7.@@Tfelt-Hansen P, Tfelt-Hansen J: Verapamil for cluster headache. Clinical pharmacology and possible mode of action. Headache. 2009 Jan;49(1):117-25. doi: 10.1111/j.1526-4610.2008.01298.x."	Approved	Phenylbutylamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; Amines; Miscellaneous Calcium-channel Blocking Agents; Adrenergic alpha-1 Receptor Antagonists; Antihypertensive Agents; Cytochrome P-450 CYP2D6 Inhibitors (weak); Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Phenylalkylamine Derivatives; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; OCT1 substrates; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Drugs that are Mainly Renally Excreted; Negative Inotrope; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2C19 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP3A5 Substrates; Adrenergic Antagonists; Cytochrome P-450 CYP2C9 Inhibitors (weak); Vasodilating Agents; MATE inhibitors; Verapamil and analogues; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2C18 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Calcium Channel Blockers (Nondihydropyridine); Cytochrome P-450 CYP3A5 Inhibitors (moderate); Cytochrome P-450 CYP2C9 Substrates; MATE 2 Inhibitors; OCT1 inhibitors; Bradycardia-Causing Agents; Selective Calcium Channel Blockers With Direct Cardiac Effects; Cytochrome P-450 CYP1A2 Substrates	COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1		Verapamil Action Pathway	drug_action		10110	46508158	D02356	PA451868		DAP000040	Verapamil	CHEMBL6966	11170
DB00898	Ethanol	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN		12970385	"Hendricson AW, Thomas MP, Lippmann MJ, Morrisett RA: Suppression of L-type voltage-gated calcium channel-dependent synaptic plasticity by ethanol: analysis of miniature synaptic currents and dendritic calcium transients. J Pharmacol Exp Ther. 2003 Nov;307(2):550-8. Epub 2003 Sep 11."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB00898	Ethanol	BE0003586	CHRNA5	P30532	ACHA5_HUMAN		23641218; 19270242	"Hendrickson LM, Guildford MJ, Tapper AR: Neuronal nicotinic acetylcholine receptors: common molecular substrates of nicotine and alcohol dependence. Front Psychiatry. 2013 Apr 30;4:29. doi: 10.3389/fpsyt.2013.00029. eCollection 2013.@@Dopico AM, Lovinger DM: Acute alcohol action and desensitization of ligand-gated ion channels. Pharmacol Rev. 2009 Mar;61(1):98-114. doi: 10.1124/pr.108.000430. Epub 2009 Mar 6."	Approved	Primary alcohols	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols	"Cytochrome P-450 CYP2B6 Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP2E1 Inducers (moderate); Dermatologicals; Miscellaneous Local Anti-infectives; Cytochrome P-450 CYP3A4 Inhibitors (weak); Cytochrome P-450 CYP2E1 Inducers; Cytochrome P-450 Enzyme Inducers; Miscellaneous Therapeutic Agents; Central Nervous System Depressants; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Nerve Depressants; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alcohols; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; NMDA Receptor Antagonists; Cytochrome P-450 CYP2E1 Substrates; Agents Causing Muscle Toxicity; Antidotes; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Substrates; Neurotoxic agents; Compounds used in a research, industrial, or household setting; Antiseptics and Disinfectants; Anti-Infective Agents; Central Nervous System Agents; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2B6 Inhibitors (strength unknown); Anti-Infective Agents, Local; Cytochrome P-450 CYP1A2 Substrates; Solvents"	CCO		Disulfiram Action Pathway; Ethanol Degradation	metabolic; drug_action		3438	46506969	D00068	PA448073		DAP000681	Ethanol	CHEMBL545	448
DB01023	Felodipine	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	inhibitor	11752352; 10525060; 17475903	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Furukawa T, Yamakawa T, Midera T, Sagawa T, Mori Y, Nukada T: Selectivities of dihydropyridine derivatives in blocking Ca(2+) channel subtypes expressed in Xenopus oocytes. J Pharmacol Exp Ther. 1999 Nov;291(2):464-73.@@Zahradnikova A, Minarovic I, Zahradnik I: Competitive and cooperative effects of Bay K8644 on the L-type calcium channel current inhibition by calcium channel antagonists. J Pharmacol Exp Ther. 2007 Aug;322(2):638-45. Epub 2007 May 2."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Beta blocking agents and calcium channel blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP2C8 Inhibitors (strong)	CCOC(=O)C1=C(C)NC(C)=C(C1C1=C(Cl)C(Cl)=CC=C1)C(=O)OC		Felodipine Metabolism Pathway; Felodipine Action Pathway	drug_metabolism; drug_action		1249	46506968	D00319	PA449591		DAP000487	Felodipine	CHEMBL1480	4316
DB01054	Nitrendipine	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	inhibitor	11752352; 1846597	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Regulla S, Schneider T, Nastainczyk W, Meyer HE, Hofmann F: Identification of the site of interaction of the dihydropyridine channel blockers nitrendipine and azidopine with the calcium-channel alpha 1 subunit. EMBO J. 1991 Jan;10(1):45-9."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; ACE Inhibitors and Calcium Channel Blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Calcium Channel Blockers; Membrane Transport Modulators; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Cytochrome P-450 CYP3A5 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; BSEP/ABCB11 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A7 Substrates	CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC		Nitrendipine Action Pathway	drug_action			46508817	D00629	PA146096020		DAP001263	Nitrendipine	CHEMBL475534	7441
DB01077	Etidronic acid	BE0003567	PTPRS	Q13332	PTPRS_HUMAN	inhibitor	8610169; 11752352; 21555003	"Schmidt A, Rutledge SJ, Endo N, Opas EE, Tanaka H, Wesolowski G, Leu CT, Huang Z, Ramachandaran C, Rodan SB, Rodan GA: Protein-tyrosine phosphatase activity regulates osteoclast formation and function: inhibition by alendronate. Proc Natl Acad Sci U S A. 1996 Apr 2;93(7):3068-73.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Russell RG: Bisphosphonates: the first 40 years. Bone. 2011 Jul;49(1):2-19. doi: 10.1016/j.bone.2011.04.022. Epub 2011 May 1."	Approved	Bisphosphonates	Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates	Organophosphonates; Drugs Affecting Bone Structure and Mineralization; Musculo-Skeletal System; Organophosphorus Compounds; Bone Density Conservation Agents; Bisphosphonates; Drugs for Treatment of Bone Diseases	CC(O)(P(O)(O)=O)P(O)(O)=O					12611	46507694	D02373	PA449548		DNC000629	Etidronic_acid	CHEMBL871	1356715
DB01115	Nifedipine	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	inhibitor	11752352; 9846638; 19029287	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5.@@Morel N, Buryi V, Feron O, Gomez JP, Christen MO, Godfraind T: The action of calcium channel blockers on recombinant L-type calcium channel alpha1-subunits. Br J Pharmacol. 1998 Nov;125(5):1005-12.@@Sinnegger-Brauns MJ, Huber IG, Koschak A, Wild C, Obermair GJ, Einzinger U, Hoda JC, Sartori SB, Striessnig J: Expression and 1,4-dihydropyridine-binding properties of brain L-type calcium channel isoforms. Mol Pharmacol. 2009 Feb;75(2):407-14. doi: 10.1124/mol.108.049981. Epub 2008 Nov 24."	Approved	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; P-glycoprotein inducers; Tocolytic Agents; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Beta blocking agents and calcium channel blockers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Negative Inotrope; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Calcium Channel Blockers (Dihydropyridine); P-glycoprotein inhibitors; Reproductive Control Agents; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP2A6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Calcium Channel Blockers and Diuretics; Cytochrome P-450 CYP3A4 Substrates; Dihydropyridines; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); BSEP/ABCB11 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP1A2 Substrates; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)	COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OC		Nifedipine Action Pathway	drug_action		1966	46505103	D00437	PA450631		DAP000529	Nifedipine	CHEMBL193	7417
DB01254	Dasatinib	BE0004315	LYN	P07948	LYN_HUMAN	inhibitor	18180381; 32268657	"Kneidinger M, Schmidt U, Rix U, Gleixner KV, Vales A, Baumgartner C, Lupinek C, Weghofer M, Bennett KL, Herrmann H, Schebesta A, Thomas WR, Vrtala S, Valenta R, Lee FY, Ellmeier W, Superti-Furga G, Valent P: The effects of dasatinib on IgE receptor-dependent activation and histamine release in human basophils. Blood. 2008 Mar 15;111(6):3097-107. doi: 10.1182/blood-2007-08-104372. Epub 2008  Jan 7.@@Lee D, Park YH, Lee JE, Kim HS, Min KY, Jo MG, Kim HS, Choi WS, Kim YM: Dasatinib Inhibits Lyn and Fyn Src-Family Kinases in Mast Cells to Suppress Type I Hypersensitivity in Mice. Biomol Ther (Seoul). 2020 Sep 1;28(5):456-464. doi: 10.4062/biomolther.2020.013."	Approved; Investigational	Aromatic anilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Myelosuppressive Agents; QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Thiazoles; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Photosensitizing Agents; Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Inhibitors; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Potential QTc-Prolonging Agents; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrimidines; Sulfur Compounds; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP1A2 Substrates	CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1		Dasatinib Inhibition of BCR-ABL	drug_action		20122	46505143	D03658	PA162372878		DAP000004	Dasatinib	CHEMBL1421	1546019
DB01259	Lapatinib	BE0000767	EGFR	P00533	EGFR_HUMAN	antagonist	12214266; 14633707; 14737100; 14751502; 14967461; 15163842; 15374980; 20658522; 16894399; 20110044; 18803986; 11752352	"Xia W, Mullin RJ, Keith BR, Liu LH, Ma H, Rusnak DW, Owens G, Alligood KJ, Spector NL: Anti-tumor activity of GW572016: a dual tyrosine kinase inhibitor blocks EGF activation of EGFR/erbB2 and downstream Erk1/2 and AKT pathways. Oncogene. 2002 Sep 12;21(41):6255-63.@@Grana TM, Sartor CI, Cox AD: Epidermal growth factor receptor autocrine signaling in RIE-1 cells transformed by the Ras oncogene enhances radiation resistance. Cancer Res. 2003 Nov 15;63(22):7807-14.@@Xia W, Liu LH, Ho P, Spector NL: Truncated ErbB2 receptor (p95ErbB2) is regulated by heregulin through heterodimer formation with ErbB3 yet remains sensitive to the dual EGFR/ErbB2 kinase inhibitor GW572016. Oncogene. 2004 Jan 22;23(3):646-53.@@Zhou H, Kim YS, Peletier A, McCall W, Earp HS, Sartor CI: Effects of the EGFR/HER2 kinase inhibitor GW572016 on EGFR- and HER2-overexpressing breast cancer cell line proliferation, radiosensitization, and resistance. Int J Radiat Oncol Biol Phys. 2004 Feb 1;58(2):344-52.@@Langer CJ: Emerging role of epidermal growth factor receptor inhibition in therapy for advanced malignancy: focus on NSCLC. Int J Radiat Oncol Biol Phys. 2004 Mar 1;58(3):991-1002.@@Burris HA 3rd: Dual kinase inhibition in the treatment of breast cancer: initial experience with the EGFR/ErbB-2 inhibitor lapatinib. Oncologist. 2004;9 Suppl 3:10-5.@@Wood ER, Truesdale AT, McDonald OB, Yuan D, Hassell A, Dickerson SH, Ellis B, Pennisi C, Horne E, Lackey K, Alligood KJ, Rusnak DW, Gilmer TM, Shewchuk L: A unique structure for epidermal growth factor receptor bound to GW572016 (Lapatinib): relationships among protein conformation, inhibitor off-rate, and receptor activity in tumor cells. Cancer Res. 2004 Sep 15;64(18):6652-9.@@Vazquez-Martin A, Oliveras-Ferraros C, Cufi S, Del Barco S, Martin-Castillo B, Menendez JA: Lapatinib, a dual HER1/HER2 tyrosine kinase inhibitor, augments basal cleavage of HER2 extracellular domain (ECD) to inhibit HER2-driven cancer cell growth. J Cell Physiol. 2011 Jan;226(1):52-7. doi: 10.1002/jcp.22333.@@Johnston SR, Leary A: Lapatinib: a novel EGFR/HER2 tyrosine kinase inhibitor for cancer. Drugs Today (Barc). 2006 Jul;42(7):441-53.@@Tevaarwerk AJ, Kolesar JM: Lapatinib: a small-molecule inhibitor of epidermal growth factor receptor and human epidermal growth factor receptor-2 tyrosine kinases used in the treatment of breast cancer. Clin Ther. 2009;31 Pt 2:2332-48. doi: 10.1016/j.clinthera.2009.11.029.@@Medina PJ, Goodin S: Lapatinib: a dual inhibitor of human epidermal growth factor receptor tyrosine kinases. Clin Ther. 2008 Aug;30(8):1426-47. doi: 10.1016/j.clinthera.2008.08.008.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2C19 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Potential QTc-Prolonging Agents; Heterocyclic Compounds, Fused-Ring; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Human epidermal growth factor receptor 2 (HER2) tyrosine kinase inhibitors; Quinazolines"	CS(=O)(=O)CCNCC1=CC=C(O1)C1=CC2=C(C=C1)N=CN=C2NC1=CC(Cl)=C(OCC2=CC(F)=CC=C2)C=C1					20463	46507141	D04024	PA152241907		DCL000344	Lapatinib	CHEMBL554	480167
DB01269	Panitumumab	BE0000767	EGFR	P00533	EGFR_HUMAN	suppressor	11894013; 12620146; 14967460; 16012181; 16857825; 11255078; 20623992; 18343240; 17355997; 18503402; 20481659; 11752352	"Lynch DH, Yang XD: Therapeutic potential of ABX-EGF: a fully human anti-epidermal growth factor receptor monoclonal antibody for cancer treatment. Semin Oncol. 2002 Feb;29(1 Suppl 4):47-50.@@Cohen RB: Epidermal growth factor receptor as a therapeutic target in colorectal cancer. Clin Colorectal Cancer. 2003 Feb;2(4):246-51.@@Foon KA, Yang XD, Weiner LM, Belldegrun AS, Figlin RA, Crawford J, Rowinsky EK, Dutcher JP, Vogelzang NJ, Gollub J, Thompson JA, Schwartz G, Bukowski RM, Roskos LK, Schwab GM: Preclinical and clinical evaluations of ABX-EGF, a fully human anti-epidermal growth factor receptor antibody. Int J Radiat Oncol Biol Phys. 2004 Mar 1;58(3):984-90.@@Segaert S, Van Cutsem E: Clinical signs, pathophysiology and management of skin toxicity during therapy with epidermal growth factor receptor inhibitors. Ann Oncol. 2005 Sep;16(9):1425-33. Epub 2005 Jul 12.@@Heymach JV, Nilsson M, Blumenschein G, Papadimitrakopoulou V, Herbst R: Epidermal growth factor receptor inhibitors in development for the treatment of non-small cell lung cancer. Clin Cancer Res. 2006 Jul 15;12(14 Pt 2):4441s-4445s.@@Yang XD, Jia XC, Corvalan JR, Wang P, Davis CG: Development of ABX-EGF, a fully human anti-EGF receptor monoclonal antibody, for cancer therapy. Crit Rev Oncol Hematol. 2001 Apr;38(1):17-23.@@Keating GM: Spotlight on panitumumab in metastatic colorectal cancer. BioDrugs. 2010 Aug 1;24(4):275-8. doi: 10.2165/11205460-000000000-00000.@@Wu M, Rivkin A, Pham T: Panitumumab: human monoclonal antibody against epidermal growth factor receptors for the treatment of metastatic colorectal cancer. Clin Ther. 2008 Jan;30(1):14-30. doi: 10.1016/j.clinthera.2008.01.014.@@Saadeh CE, Lee HS: Panitumumab: a fully human monoclonal antibody with activity in metastatic colorectal cancer. Ann Pharmacother. 2007 Apr;41(4):606-13. Epub 2007 Mar 13.@@Jean GW, Shah SR: Epidermal growth factor receptor monoclonal antibodies for the treatment of metastatic colorectal cancer. Pharmacotherapy. 2008 Jun;28(6):742-54. doi: 10.1592/phco.28.6.742.@@Keating GM: Panitumumab: a review of its use in metastatic colorectal cancer. Drugs. 2010 May 28;70(8):1059-78. doi: 10.2165/11205090-000000000-00000.@@Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; Antibodies, Monoclonal, Humanized; EGFR (Epidermal Growth Factor Receptor) inhibitors; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; HER1 Antagonists; Proteins; Antineoplastic Agents; Immunoglobulins; Antineoplastic Agents, Immunological; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic and Immunomodulating Agents; Epidermal Growth Factor Receptor Antagonist; Blood Proteins"			Panitumumab Action Pathway	drug_action		20210	46505063		PA162373091	P01859	DNC000135	Panitumumab	CHEMBL1201827	263034
DB01373	Calcium	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	ligand	21303162	"Boda D, Giri J, Henderson D, Eisenberg B, Gillespie D: Analyzing the components of the free-energy landscape in a calcium selective ion channel by Widom's particle insertion method. J Chem Phys. 2011 Feb 7;134(5):055102. doi: 10.1063/1.3532937."	Nutraceutical			"Minerals; Phosphate Chelating Activity; Calcium Salts; Biological Factors; Metals; Musculo-Skeletal System; Replacement Preparations; Elements; Antacids and Adsorbents; Phosphate Binder; Calcium-Regulating Hormones and Agents; Metals, Alkaline Earth; Blood Coagulation Factors; Drugs Affecting Bone Structure and Mineralization; Alimentary Tract and Metabolism; Drugs for Treatment of Bone Diseases"	[Ca]		Lidocaine (Antiarrhythmic) Action Pathway; Reteplase Action Pathway; Arachidonic Acid Metabolism; Oxaprozin Action Pathway; Ardeparin Action Pathway; Heparin Action Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; Riboflavin Metabolism; Alprenolol Action Pathway; Naproxen Action Pathway; Procainamide (Antiarrhythmic) Action Pathway; Sphingolipid Metabolism; Tranexamic Acid Action Pathway; Xanthine Dehydrogenase Deficiency (Xanthinuria); Meloxicam Action Pathway; Phenprocoumon Action Pathway; Streptokinase Action Pathway; Phenylketonuria; Gaucher Disease; Fc Epsilon Receptor I Signaling in Mast Cells; Ketorolac Action Pathway; Androgen and Estrogen Metabolism; Acetylsalicylic Acid Action Pathway; Bivalirudin Action Pathway; Aprotinin Action Pathway; Alpha Linolenic Acid and Linoleic Acid Metabolism; Malate-Aspartate Shuttle; Folate Metabolism; Adenylosuccinate Lyase Deficiency	signaling; disease; metabolic; drug_action		4803	46506005		PA164712582			Calcium		1895
DB01373	Calcium	BE0000904	CAST	P20810	ICAL_HUMAN		17543955; 17570336	"Hanna RA, Garcia-Diaz BE, Davies PL: Calpastatin simultaneously binds four calpains with different kinetic constants. FEBS Lett. 2007 Jun 26;581(16):2894-8. Epub 2007 May 25.@@De Tullio R, Averna M, Stifanese R, Parr T, Bardsley RG, Pontremoli S, Melloni E: Multiple rat brain calpastatin forms are produced by distinct starting points and alternative splicing of the N-terminal exons. Arch Biochem Biophys. 2007 Sep 1;465(1):148-56. Epub 2007 May 30."	Nutraceutical			"Minerals; Phosphate Chelating Activity; Calcium Salts; Biological Factors; Metals; Musculo-Skeletal System; Replacement Preparations; Elements; Antacids and Adsorbents; Phosphate Binder; Calcium-Regulating Hormones and Agents; Metals, Alkaline Earth; Blood Coagulation Factors; Drugs Affecting Bone Structure and Mineralization; Alimentary Tract and Metabolism; Drugs for Treatment of Bone Diseases"	[Ca]		Lidocaine (Antiarrhythmic) Action Pathway; Reteplase Action Pathway; Arachidonic Acid Metabolism; Oxaprozin Action Pathway; Ardeparin Action Pathway; Heparin Action Pathway; Mefenamic Acid Action Pathway; Bromfenac Action Pathway; Riboflavin Metabolism; Alprenolol Action Pathway; Naproxen Action Pathway; Procainamide (Antiarrhythmic) Action Pathway; Sphingolipid Metabolism; Tranexamic Acid Action Pathway; Xanthine Dehydrogenase Deficiency (Xanthinuria); Meloxicam Action Pathway; Phenprocoumon Action Pathway; Streptokinase Action Pathway; Phenylketonuria; Gaucher Disease; Fc Epsilon Receptor I Signaling in Mast Cells; Ketorolac Action Pathway; Androgen and Estrogen Metabolism; Acetylsalicylic Acid Action Pathway; Bivalirudin Action Pathway; Aprotinin Action Pathway; Alpha Linolenic Acid and Linoleic Acid Metabolism; Malate-Aspartate Shuttle; Folate Metabolism; Adenylosuccinate Lyase Deficiency	signaling; disease; metabolic; drug_action		4803	46506005		PA164712582			Calcium		1895
DB01388	Mibefradil	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	inhibitor	16306443; 16899990; 10372226; 10665814	"Moosmang S, Haider N, Bruderl B, Welling A, Hofmann F: Antihypertensive effects of the putative T-type calcium channel antagonist mibefradil are mediated by the L-type calcium channel Cav1.2. Circ Res. 2006 Jan 6;98(1):105-10. Epub 2005 Nov 23.@@Lee TS, Kaku T, Takebayashi S, Uchino T, Miyamoto S, Hadama T, Perez-Reyes E, Ono K: Actions of mibefradil, efonidipine and nifedipine block of recombinant T- and L-type Ca channels with distinct inhibitory mechanisms. Pharmacology. 2006;78(1):11-20. Epub 2006 Aug 7.@@Mocanu MM, Gadgil S, Yellon DM, Baxter GF: Mibefradil, a T-type and L-type calcium channel blocker, limits infarct size through a glibenclamide-sensitive mechanism. Cardiovasc Drugs Ther. 1999 Apr;13(2):115-22.@@Jimenez C, Bourinet E, Leuranguer V, Richard S, Snutch TP, Nargeot J: Determinants of voltage-dependent inactivation affect Mibefradil block of calcium channels. Neuropharmacology. 2000;39(1):1-10."	Investigational; Withdrawn	Tetralins	Organic compounds; Benzenoids; Tetralins	"Cytochrome P-450 CYP2D6 Inhibitors; Cytochrome P-450 CYP3A7 Inhibitors (strength unknown); QTc Prolonging Agents; Enzyme Inhibitors; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Tetrahydronaphthalenes; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; P-glycoprotein substrates; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiarrhythmic agents; Cytochrome P-450 CYP3A7 Inhibitors; Naphthalenes; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents; Cytochrome P-450 CYP1A2 Inhibitors (strength unknown); Benzimidazoles"	COCC(=O)O[C@]1(CCN(C)CCCC2=NC3=CC=CC=C3N2)CCC2=C(C=CC(F)=C2)[C@@H]1C(C)C						46504498		PA450492		DCL000341	Mibefradil	CHEMBL45816	83213
DB01593	Zinc	BE0004528	EEF1A1	P68104	EF1A1_HUMAN		14534351	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Physiological Phenomena; Zinc Compounds; Metals; Diet, Food, and Nutrition; Metal divalent cations; Elements; Transition Elements; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Food; Metals, Heavy; Trace Elements; Metal cations; Vasoprotectives; Micronutrients"	[Zn]		Dihydropyrimidinase Deficiency; Rofecoxib Action Pathway; Losartan Action Pathway; AICA-Ribosiduria; Canavan Disease; Quinapril Action Pathway; Alkaptonuria; Eprosartan Action Pathway; gamma-Glutamyltransferase Deficiency; Pterine Biosynthesis; Sulindac Action Pathway; Rescinnamine Action Pathway; Piroxicam Action Pathway; Nabumetone Action Pathway; 2-Hydroxyglutric Aciduria (D and L Form); beta-Ureidopropionase Deficiency; Vitamin B6 Metabolism; Retinol Metabolism; Valsartan Action Pathway; Valdecoxib Action Pathway; Irbesartan Action Pathway; Adenosine Deaminase Deficiency; Hawkinsinuria; Methionine Metabolism; Ramipril Action Pathway; Benazepril Action Pathway; beta-Alanine Metabolism; Aspartate Metabolism; Diclofenac Action Pathway; Galactosemia	disease; metabolic; drug_action		138	46506903		PA451956			Zinc	CHEMBL1201279	11416
DB02494	(S)-3-phenyllactic acid	BE0003833	RPL3	P39023	RL3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpropanoic acids	Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids		O[C@@H](CC1=CC=CC=C1)C(O)=O						46509007							
DB02740	3-Indolebutyric Acid	BE0003482	HLA-A	P04439	1A03_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	3-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles	"Heterocyclic Compounds, Fused-Ring"	OC(=O)CCCC1=CNC2=C1C=CC=C2						46505244						CHEMBL582878	
DB03023	"1-Tert-Butyl-3-(4-Chloro-Phenyl)-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine"	BE0004315	LYN	P07948	LYN_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Phenylpyrazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles		CC(C)(C)N1[NH+]=C(C2=C1N=CN=C2N)C1=CC=C(Cl)C=C1						46506310							
DB03366	Imidazole	BE0004532	MYO1E	Q12965	MYO1E_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental; Investigational	Imidazoles	Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles	"Thromboxane-A Synthase, antagonists & inhibitors; Enzyme Inhibitors"	N1C=CN=C1						46507926					Imidazole	CHEMBL540	
DB03496	Alvocidib	BE0000767	EGFR	P00533	EGFR_HUMAN		11752352	"Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5."	Experimental; Investigational	Flavones	Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones	"BCRP/ABCG2 Substrates; Growth Inhibitors; Chromones; Heterocyclic Compounds, Fused-Ring; Benzopyrans; Cyclin-Dependent Kinases, antagonists & inhibitors; Enzyme Inhibitors; Growth Substances; UGT1A1 Substrates; Pyrans; Antineoplastic Agents; Protein Kinase Inhibitors"	CN1CC[C@@H]([C@H](O)C1)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC=CC=C1Cl						46507266		PA452627		DCL000422	Alvocidib	CHEMBL428690	
DB03680	Tartronate	BE0000328	ME3	Q16798	MAON_HUMAN		17139284; 17016423; 10592235	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Sugar acids and derivatives	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates		OC(C([O-])=O)C([O-])=O						46506347							
DB04315	Guanosine-5'-Diphosphate	BE0004528	EEF1A1	P68104	EF1A1_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine ribonucleoside diphosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1						46508144						CHEMBL384759	
DB04395	Phosphoaminophosphonic Acid-Adenylate Ester	BE0004572	VCP	P55072	TERA_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine ribonucleoside monophosphates	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides"		NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O						46507028							
DB04855	Dronedarone	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	inhibitor	23997577	"Heijman J, Heusch G, Dobrev D: Pleiotropic effects of antiarrhythmic agents: dronedarone in the treatment of atrial fibrillation. Clin Med Insights Cardiol. 2013 Aug 11;7:127-40. doi: 10.4137/CMC.S8445. eCollection 2013."	Approved	Aryl-phenylketones	Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds	"OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; QTc Prolonging Agents; Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Adrenergic alpha-Antagonists; Cytochrome P-450 CYP3A5 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Photosensitizing Agents; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Adrenergic Antagonists; Drugs causing inadvertant photosensitivity; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Antiarrhythmic agents; OAT3/SLC22A8 Inhibitors; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cardiac Therapy; Highest Risk QTc-Prolonging Agents; OCT1 inhibitors; Cytochrome P-450 CYP2D6 Inhibitors (moderate); Bradycardia-Causing Agents; Benzofurans; Narrow Therapeutic Index Drugs; Antiarrhythmics, Class III"	CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2					20511	175426865	D02537	PA153619853			Dronedarone	CHEMBL184412	233698
DB04865	Omacetaxine mepesuccinate	BE0003833	RPL3	P39023	RL3_HUMAN	antagonist	1730056; 2583270	"Tujebajeva RM, Graifer DM, Matasova NB, Fedorova OS, Odintsov VB, Ajtkhozhina NA, Karpova GG: Selective inhibition of the polypeptide chain elongation in eukaryotic cells. Biochim Biophys Acta. 1992 Jan 6;1129(2):177-82.@@Tujebajeva RM, Graifer DM, Karpova GG, Ajtkhozhina NA: Alkaloid homoharringtonine inhibits polypeptide chain elongation on human ribosomes on the step of peptide bond formation. FEBS Lett. 1989 Nov 6;257(2):254-6."	Approved; Investigational	Cephalotaxus alkaloids	Organic compounds; Alkaloids and derivatives; Cephalotaxus alkaloids	"Benzazepines; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Protein Synthesis Inhibitors; Alkaloids; Antineoplastic Agents, Phytogenic; Narrow Therapeutic Index Drugs; Antineoplastic Agents; Harringtonines"	[H][C@@]1(OC(=O)[C@@](O)(CCCC(C)(C)O)CC(=O)OC)C(OC)=C[C@]23CCCN2CCC2=CC4=C(OCO4)C=C2[C@]13[H]						175426874	D08956				Omacetaxine_mepesuccinate	CHEMBL46286	27100
DB04920	Clevidipine	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN		15492770	"Nordlander M, Sjoquist PO, Ericsson H, Ryden L: Pharmacodynamic, pharmacokinetic and clinical effects of clevidipine, an ultrashort-acting calcium antagonist for rapid blood pressure control. Cardiovasc Drug Rev. 2004 Fall;22(3):227-50."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Cytochrome P-450 CYP3A4 Inhibitors (weak); Dihydropyridine Derivatives; Hypotensive Agents; Antihypertensive Agents Indicated for Hypertension; Cardiovascular Agents; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Drugs that are Mainly Renally Excreted; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Calcium Channel Blockers (Dihydropyridine); Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2D6 Substrates; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cholinesterase substrates; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents	CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC(Cl)=C1Cl)C(=O)OC					20686	175426904	D08892				Clevidipine	CHEMBL1237132	233603
DB04988	IGN311	BE0000767	EGFR	P00533	EGFR_HUMAN		16963623	"Farhan H, Schuster C, Klinger M, Weisz E, Waxenecker G, Schuster M, Sexl V, Mudde GC, Freissmuth M, Kircheis R: Inhibition of xenograft tumor growth and down-regulation of ErbB receptors by an antibody directed against Lewis Y antigen. J Pharmacol Exp Ther. 2006 Dec;319(3):1459-66. Epub 2006 Sep 8."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Immunoglobulins; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"							347909877							
DB05013	Ingenol mebutate	BE0001132	PRKCA	P17252	KPCA_HUMAN	ligand	15126366	"Kedei N, Lundberg DJ, Toth A, Welburn P, Garfield SH, Blumberg PM: Characterization of the interaction of ingenol 3-angelate with protein kinase C. Cancer Res. 2004 May 1;64(9):3243-55."	Approved	Tigliane and ingenane diterpenoids	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids	Cell Death Inducer; Increased Cellular Death; Misc. Skin and Mucous Membrane Agents; Dermatologicals; Terpenes	[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)C(\C)=C/C)[C@@]3(O)[C@H](O)C(CO)=C[C@@]([H])(C4=O)[C@]1([H])C2(C)C					21660	175426930	D09393				Ingenol_mebutate	CHEMBL1863513	1242806
DB05101	Matuzumab	BE0000767	EGFR	P00533	EGFR_HUMAN				Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Antibodies, Monoclonal, Humanized; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"							347909947					Matuzumab		
DB05121	1D09C3	BE0004790	HLA-DRA	P01911	2B1F_HUMAN		16452241	"Carlo-Stella C, Di Nicola M, Turco MC, Cleris L, Lavazza C, Longoni P, Milanesi M, Magni M, Ammirante M, Leone A, Nagy Z, Gioffre WR, Formelli F, Gianni AM: The anti-human leukocyte antigen-DR monoclonal antibody 1D09C3 activates the mitochondrial cell death pathway and exerts a potent antitumor activity in lymphoma-bearing nonobese diabetic/severe combined immunodeficient mice. Cancer Res. 2006 Feb 1;66(3):1799-808."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"								347909959							
DB05259	Glatiramer	BE0002416	HLA-DRB1	P01911	2B1F_HUMAN	binder	15371592; 9574543	"Arnon R, Aharoni R: Mechanism of action of glatiramer acetate in multiple sclerosis and its potential for the development of new applications. Proc Natl Acad Sci U S A. 2004 Oct 5;101 Suppl 2:14593-8. Epub 2004 Sep 15.@@Fridkis-Hareli M, Strominger JL: Promiscuous binding of synthetic copolymer 1 to purified HLA-DR molecules. J Immunol. 1998 May 1;160(9):4386-97."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Immunomodulatory Agents; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunologic Factors; Peptides; Adjuvants, Immunologic; Proteins; Amino Acids, Peptides, and Proteins"						11533	46505299		PA449760		DAP001315	Glatiramer_acetate	CHEMBL1201507	214582
DB05259	Glatiramer	BE0009777	HLA-DRB1	P01911	2B1F_HUMAN	binder	9574543	"Fridkis-Hareli M, Strominger JL: Promiscuous binding of synthetic copolymer 1 to purified HLA-DR molecules. J Immunol. 1998 May 1;160(9):4386-97."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Immunomodulatory Agents; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunologic Factors; Peptides; Adjuvants, Immunologic; Proteins; Amino Acids, Peptides, and Proteins"						11533	46505299		PA449760		DAP001315	Glatiramer_acetate	CHEMBL1201507	214582
DB05259	Glatiramer	BE0009774	HLA-DRB1	P01911	2B1F_HUMAN	binder	9574543	"Fridkis-Hareli M, Strominger JL: Promiscuous binding of synthetic copolymer 1 to purified HLA-DR molecules. J Immunol. 1998 May 1;160(9):4386-97."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Immunomodulatory Agents; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Immunologic Factors; Peptides; Adjuvants, Immunologic; Proteins; Amino Acids, Peptides, and Proteins"						11533	46505299		PA449760		DAP001315	Glatiramer_acetate	CHEMBL1201507	214582
DB05294	Vandetanib	BE0000767	EGFR	P00533	EGFR_HUMAN	inhibitor			Approved	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"OCT2 Inhibitors; QTc Prolonging Agents; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Photosensitizing Agents; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Drugs causing inadvertant photosensitivity; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Highest Risk QTc-Prolonging Agents; Narrow Therapeutic Index Drugs"	COC1=C(OCC2CCN(C)CC2)C=C2N=CN=C(NC3=C(F)C=C(Br)C=C3)C2=C1					21141	175426969	D06407	PA166118341			Vandetanib	CHEMBL24828	1098413
DB05374	Rindopepimut	BE0000767	EGFR	P00533	EGFR_HUMAN				Investigational			"Biological Products; Complex Mixtures; Antineoplastic Agents, Immunological; Antineoplastic Agents; Vaccines"							347910109					Rindopepimut		
DB05424	Canertinib	BE0000767	EGFR	P00533	EGFR_HUMAN				Investigational	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Cardiovascular Agents; Sensory System Agents; Central Nervous System Agents; Central Nervous System Depressants; Oxazines; Protective Agents; Anesthetics; Compounds used in a research, industrial, or household setting; Acids, Acyclic; Tyrosine Kinase Inhibitors; Peripheral Nervous System Agents; Antineoplastic Agents; Cardiotonic Agents"	FC1=C(Cl)C=C(NC2=NC=NC3=CC(OCCCN4CCOCC4)=C(NC(=O)C=C)C=C23)C=C1						175427000					Canertinib	CHEMBL31965	
DB05524	Pelitinib	BE0000767	EGFR	P00533	EGFR_HUMAN		16364494	"Yoshimura N, Kudoh S, Kimura T, Mitsuoka S, Matsuura K, Hirata K, Matsui K, Negoro S, Nakagawa K, Fukuoka M: EKB-569, a new irreversible epidermal growth factor receptor tyrosine kinase inhibitor, with clinical activity in patients with non-small cell lung cancer with acquired resistance to gefitinib. Lung Cancer. 2006 Mar;51(3):363-8. Epub 2005 Dec 20."	Investigational			"Heterocyclic Compounds, Fused-Ring; Amines; Enzyme Inhibitors; Quinolines; ErbB Receptors, antagonists & inhibitors; Antineoplastic Agents; Protein Kinase Inhibitors"	CCOC1=CC2=C(C=C1NC(=O)\C=C\CN(C)C)C(NC1=CC(Cl)=C(F)C=C1)=C(C=N2)C#N												CHEMBL607707	
DB05944	Varlitinib	BE0000767	EGFR	P00533	EGFR_HUMAN				Investigational	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Sulfur Compounds; Heterocyclic Compounds, Fused-Ring"	C[C@@H]1COC(NC2=CC=C3N=CN=C(NC4=CC=C(OCC5=NC=CS5)C(Cl)=C4)C3=C2)=N1						347827751						CHEMBL2103842	
DB06021	AV-412	BE0000767	EGFR	P00533	EGFR_HUMAN				Investigational	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Heterocyclic Compounds, Fused-Ring; Enzyme Inhibitors; Receptor, ErbB-2, antagonists & inhibitors; Antineoplastic Agents; Protein Kinase Inhibitors"	CC1=CC=C(C=C1)S(O)(=O)=O.CC1=CC=C(C=C1)S(O)(=O)=O.CN1CCN(CC1)C(C)(C)C#CC1=C(NC(=O)C=C)C=C2C(NC3=CC=C(F)C(Cl)=C3)=NC=NC2=C1													
DB06226	Nelipepimut-S	BE0003482	HLA-A	P04439	1A03_HUMAN				Investigational			"Protein-Tyrosine Kinases; Phosphotransferases (Alcohol Group Acceptor); Biomarkers, Tumor; Enzymes and Coenzymes; Protein Kinases; Transferases; Receptor, Epidermal Growth Factor; Amino Acids, Peptides, and Proteins; Proteins; Receptors, Peptide; Neoplasm Proteins; Biomarkers; Isoantigens; Phosphotransferases; Cancer Vaccines; Enzymes; Receptors, Growth Factor; Oncogene Proteins; Membrane Proteins; Biological Factors; Peptides; Histocompatibility Antigens; Antigens; Antigens, Surface; Receptor Protein-Tyrosine Kinases; Intracellular Signaling Peptides and Proteins; Minor Histocompatibility Antigens; Proto-Oncogene Proteins"												E75		
DB06226	Nelipepimut-S	BE0003483	HLA-A	P04439	1A03_HUMAN				Investigational			"Protein-Tyrosine Kinases; Phosphotransferases (Alcohol Group Acceptor); Biomarkers, Tumor; Enzymes and Coenzymes; Protein Kinases; Transferases; Receptor, Epidermal Growth Factor; Amino Acids, Peptides, and Proteins; Proteins; Receptors, Peptide; Neoplasm Proteins; Biomarkers; Isoantigens; Phosphotransferases; Cancer Vaccines; Enzymes; Receptors, Growth Factor; Oncogene Proteins; Membrane Proteins; Biological Factors; Peptides; Histocompatibility Antigens; Antigens; Antigens, Surface; Receptor Protein-Tyrosine Kinases; Intracellular Signaling Peptides and Proteins; Minor Histocompatibility Antigens; Proto-Oncogene Proteins"												E75		
DB06451	Aprinocarsen	BE0001132	PRKCA	P17252	KPCA_HUMAN		16424642; 15868384	"Lahn M, Sundell K, Kohler G: The role of protein kinase C-alpha in hematologic malignancies. Acta Haematol. 2006;115(1-2):1-8.@@Vansteenkiste J, Canon JL, Riska H, Pirker R, Peterson P, John W, Mali P, Lahn M: Randomized phase II evaluation of aprinocarsen in combination with gemcitabine and cisplatin for patients with advanced/metastatic non-small cell lung cancer. Invest New Drugs. 2005 Jun;23(3):263-9."	Investigational			"Protein Kinase C, antagonists & inhibitors; Polynucleotides; Oligonucleotides; Sulfur Compounds; Nucleic Acids, Nucleotides, and Nucleosides; Nucleotides"														2634355
DB06595	Midostaurin	BE0001132	PRKCA	P17252	KPCA_HUMAN	antagonist	16969355	"Millward MJ, House C, Bowtell D, Webster L, Olver IN, Gore M, Copeman M, Lynch K, Yap A, Wang Y, Cohen PS, Zalcberg J: The multikinase inhibitor midostaurin (PKC412A) lacks activity in metastatic melanoma: a phase IIA clinical and biologic study. Br J Cancer. 2006 Oct 9;95(7):829-34. Epub 2006 Sep 12."	Approved; Investigational	Indolocarbazoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles	"Cytochrome P-450 CYP2D6 Inhibitors; Receptor Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP2E1 Inhibitors (strong); Enzyme Inhibitors; Indolizidines; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A Inducers (strong); Cytochrome P-450 CYP3A4 Inducers (strong); Indoles; Cytochrome P-450 CYP3A7 Inducers; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 CYP1A2 Inhibitors (strong); Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Alkaloids; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Cytochrome P-450 CYP3A7 Inducers (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Protein Kinase C, antagonists & inhibitors; Heterocyclic Compounds, Fused-Ring; Indole Alkaloids; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Cytochrome P-450 CYP2D6 Inhibitors (strong); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2E1 Inhibitors; Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Carbazoles; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strong); Cytochrome P-450 CYP2C9 Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Indolizines"	CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)N1C3=C(C=CC=C3)C3=C1C1=C(C4=C(C=CC=C4)N21)C1=C3CNC1=O)N(C)C(=O)C1=CC=CC=C1					22883	347827778	D05029				Midostaurin	CHEMBL608533	1919083
DB06616	Bosutinib	BE0004315	LYN	P07948	LYN_HUMAN	inhibitor	30969999; 23493838	"Berndt S, Gurevich VV, Iverson TM: Crystal structure of the SH3 domain of human Lyn non-receptor tyrosine kinase. PLoS One. 2019 Apr 10;14(4):e0215140. doi: 10.1371/journal.pone.0215140. eCollection 2019.@@Amsberg GK, Koschmieder S: Profile of bosutinib and its clinical potential in the treatment of chronic myeloid leukemia. Onco Targets Ther. 2013;6:99-106. doi: 10.2147/OTT.S19901. Epub 2013 Mar 4."	Approved	4-aminoquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives	"Myelosuppressive Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (weak); P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs"	COC1=CC(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C(Cl)C=C1Cl		Bosutinib Inhibition of BCR-ABL	drug_action		22234	175427079	D03252				Bosutinib	CHEMBL288441	1307619
DB06641	Perifosine	BE0001132	PRKCA	P17252	KPCA_HUMAN		16528479	"Knowling M, Blackstein M, Tozer R, Bramwell V, Dancey J, Dore N, Matthews S, Eisenhauer E: A phase II study of perifosine (D-21226) in patients with previously untreated metastatic or locally advanced soft tissue sarcoma: A National Cancer Institute of Canada Clinical Trials Group trial. Invest New Drugs. 2006 Sep;24(5):435-9."	Investigational	Dialkyl phosphates	Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters	Quaternary Ammonium Compounds; Onium Compounds; Amines; Trimethyl Ammonium Compounds	CCCCCCCCCCCCCCCCCCOP([O-])(=O)OC1CC[N+](C)(C)CC1											Perifosine	CHEMBL372764	
DB06712	Nilvadipine	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	inhibitor	7898101; 9846638	"Rosenthal J: Nilvadipine: profile of a new calcium antagonist. An overview. J Cardiovasc Pharmacol. 1994;24 Suppl 2:S92-107.@@Morel N, Buryi V, Feron O, Gomez JP, Christen MO, Godfraind T: The action of calcium channel blockers on recombinant L-type calcium channel alpha1-subunits. Br J Pharmacol. 1998 Nov;125(5):1005-12."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cytochrome P-450 CYP2A6 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inhibitors; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C19 Inhibitors (weak); Cytochrome P-450 CYP3A4 Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP2E1 Substrates; Cytochrome P-450 CYP2A6 Inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Cytochrome P-450 CYP2C19 Inhibitors; Bradycardia-Causing Agents; Moderate Risk QTc-Prolonging Agents	COC(=O)C1=C(NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C)C#N						99443264	D01908	PA165958385			Nilvadipine	CHEMBL517427	53692
DB07374	Anisomycin	BE0003833	RPL3	P39023	RL3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Anisoles	Organic compounds; Benzenoids; Phenol ethers; Anisoles	Anti-Infective Agents; Pyrrolidines; Nucleic Acid Synthesis Inhibitors; Enzyme Inhibitors; Protein Synthesis Inhibitors; Anti-Bacterial Agents; Antiprotozoals; Antiparasitic Agents	[H][C@]1(O)CN[C@]([H])(CC2=CC=C(OC)C=C2)[C@]1([H])OC(C)=O						99443845					Anisomycin	CHEMBL423192	
DB07602	S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]-3-OXOPROPYL}-L-CYSTEINE	BE0000767	EGFR	P00533	EGFR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	L-cysteine-S-conjugates	"Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues"		[H][C@](N)(CSCCC(=O)NC1=CC2=C(C=C1)N=CN=C2NC1=CC=CC=C1)C(O)=O						99444073							
DB07662	PD-168393	BE0000767	EGFR	P00533	EGFR_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Heterocyclic Compounds, Fused-Ring"	BrC1=CC(NC2=C3C=C(NC(=O)C=C)C=CC3=NC=N2)=CC=C1						99444133						CHEMBL285063	
DB08437	Puromycin	BE0003833	RPL3	P39023	RL3_HUMAN		10592235	"Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42."	Experimental	Purine 3'-deoxyribonucleosides	"Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 3'-deoxyribonucleosides"	"Purines; Agents that produce neuromuscular block (indirect); Glycosides; Enzyme Inhibitors; Nucleosides; Antimetabolites; Carbohydrates; Anti-Bacterial Agents; Nephrotoxic agents; Noxae; Protein Synthesis Inhibitors; Trypanocidal Agents; Antiprotozoals; Antineoplastic Agents; Purine Nucleosides; Heterocyclic Compounds, Fused-Ring; Acids, Carbocyclic; Nucleic Acids, Nucleotides, and Nucleosides; Antiparasitic Agents; Anti-Infective Agents; Toxic Actions; Cinnamates; Aminoglycoside Antibacterials"	COC1=CC=C(C[C@H](N)C(=O)N[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O)N2C=NC3=C2N=CN=C3N(C)C)C=C1						99444908					Puromycin	CHEMBL469912	
DB08846	Ellagic acid	BE0001132	PRKCA	P17252	KPCA_HUMAN	inhibitor	9581512	"Wang BH, Lu ZX, Polya GM: Inhibition of eukaryote serine/threonine-specific protein kinases by piceatannol. Planta Med. 1998 Apr;64(3):195-9."	Investigational	Hydrolyzable tannins	Organic compounds; Phenylpropanoids and polyketides; Tannins; Hydrolyzable tannins	"Cytochrome P-450 CYP2E1 Inhibitors; Heterocyclic Compounds, Fused-Ring; Benzopyrans; OAT3/SLC22A8 Substrates; Cytochrome P-450 Enzyme Inhibitors; OAT1/SLC22A6 inhibitors; OAT1/SLC22A6 Substrates; Cytochrome P-450 CYP2E1 Inhibitors (strength unknown); Pyrans"	OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2						175427119					Ellagic_acid	CHEMBL6246	1043181
DB08901	Ponatinib	BE0004315	LYN	P07948	LYN_HUMAN	inhibitor	19878872	"O'Hare T, Shakespeare WC, Zhu X, Eide CA, Rivera VM, Wang F, Adrian LT, Zhou T, Huang WS, Xu Q, Metcalf CA 3rd, Tyner JW, Loriaux MM, Corbin AS, Wardwell S, Ning Y, Keats JA, Wang Y, Sundaramoorthi R, Thomas M, Zhou D, Snodgrass J, Commodore L, Sawyer TK, Dalgarno DC, Deininger MW, Druker BJ, Clackson T: AP24534, a pan-BCR-ABL inhibitor for chronic myeloid leukemia, potently inhibits the T315I mutant and overcomes mutation-based resistance. Cancer Cell. 2009 Nov 6;16(5):401-12. doi: 10.1016/j.ccr.2009.09.028."	Approved; Investigational	Benzanilides	Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides	Myelosuppressive Agents; Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Bcr-Abl Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP3A5 Substrates; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Hepatotoxic Agents; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Immunosuppressive Agents; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Narrow Therapeutic Index Drugs	CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1		Ponatinib Inhibition of BCR-ABL	drug_action		22576	175427142	D09950	PA165980594			Ponatinib	CHEMBL1171837	1364347
DB08916	Afatinib	BE0000767	EGFR	P00533	EGFR_HUMAN	inhibitor	31558282; 34104899	"Masood A, Kancha RK, Subramanian J: Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors in non-small cell lung cancer harboring uncommon EGFR mutations: Focus on afatinib. Semin Oncol. 2019 Jun;46(3):271-283. doi: 10.1053/j.seminoncol.2019.08.004. Epub 2019 Sep 11.@@Vasconcelos PENS, Gergis C, Viray H, Varkaris A, Fujii M, Rangachari D, VanderLaan PA, Kobayashi IS, Kobayashi SS, Costa DB: EGFR-A763_Y764insFQEA Is a Unique Exon 20 Insertion Mutation That Displays Sensitivity to Approved and In-Development Lung Cancer EGFR Tyrosine Kinase Inhibitors. JTO Clin Res Rep. 2020 Sep;1(3). doi: 10.1016/j.jtocrr.2020.100051. Epub 2020 May 13."	Approved	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; BCRP/ABCG2 Inhibitors; Enzyme Inhibitors; Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors; Tyrosine Kinase Inhibitors; Amides; Quinazolines; P-glycoprotein substrates; Antineoplastic Agents; Protein Kinase Inhibitors"	CN(C)C\C=C\C(=O)NC1=C(O[C@H]2CCOC2)C=C2N=CN=C(NC3=CC(Cl)=C(F)C=C3)C2=C1					22160	175427153	D09724	PA165981154			Afatinib	CHEMBL1173655	1430438
DB09079	Nintedanib	BE0004315	LYN	P07948	LYN_HUMAN	inhibitor	18559524; 31016670	"Hilberg F, Roth GJ, Krssak M, Kautschitsch S, Sommergruber W, Tontsch-Grunt U, Garin-Chesa P, Bader G, Zoephel A, Quant J, Heckel A, Rettig WJ: BIBF 1120: triple angiokinase inhibitor with sustained receptor blockade and good antitumor efficacy. Cancer Res. 2008 Jun 15;68(12):4774-82. doi: 10.1158/0008-5472.CAN-07-6307.@@Wind S, Schmid U, Freiwald M, Marzin K, Lotz R, Ebner T, Stopfer P, Dallinger C: Clinical Pharmacokinetics and Pharmacodynamics of Nintedanib. Clin Pharmacokinet. 2019 Sep;58(9):1131-1147. doi: 10.1007/s40262-019-00766-0."	Approved	Indolecarboxylic acids	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives	"Kinase Inhibitor; OCT1 substrates; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A4 Substrates; Enzyme Inhibitors; UGT1A1 Substrates; OCT1 inhibitors; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Antifibrotic Agents; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Substrates (strength unknown); Antineoplastic Agents; Protein Kinase Inhibitors"	COC(=O)C1=CC=C2C(NC(=O)\C2=C(/NC2=CC=C(C=C2)N(C)C(=O)CN2CCN(C)CC2)C2=CC=CC=C2)=C1					22614	310265007	D10481				Nintedanib	CHEMBL502835	1592737
DB09092	Xanthinol	BE0003833	RPL3	P39023	RL3_HUMAN	binder	18079110	"Petropoulos AD, Kouvela EC, Dinos GP, Kalpaxis DL: Stepwise binding of tylosin and erythromycin to Escherichia coli ribosomes, characterized by kinetic and footprinting analysis. J Biol Chem. 2008 Feb 22;283(8):4756-65. doi: 10.1074/jbc.M708371200. Epub 2007 Dec 13."	Approved; Withdrawn	Xanthines	Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives	"Peripheral Vasodilators; Cardiovascular Agents; Heterocyclic Compounds, Fused-Ring; Purines; Vasodilating Agents; Purinones; Nicotinic Acids; Purine Derivatives; Pyridines"	CN(CCO)CC(O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C					5957	310265019					Xanthinol	CHEMBL1624126	89795
DB09130	Copper	BE0004528	EEF1A1	P68104	EF1A1_HUMAN		14534351	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7."	Approved; Investigational	Homogeneous transition metal compounds	Inorganic compounds; Homogeneous metal compounds; Homogeneous transition metal compounds	"Minerals; Decreased Sperm Motility; Physiological Phenomena; Inhibit Ovum Fertilization; Metals; Replacement Preparations; Diet, Food, and Nutrition; Transition Elements; Elements; Food; Decreased Embryonic Implantation; Copper-containing Intrauterine Device; Trace Elements; Metals, Heavy; Micronutrients"	[Cu]					582	310265045		PA449114			Copper		2837
DB09227	Barnidipine	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	antagonist	7760349; 19416978; 11022040	"Kwan YW, Bangalore R, Lakitsh M, Glossmann H, Kass RS: Inhibition of cardiac L-type calcium channels by quaternary amlodipine: implications for pharmacokinetics and access to dihydropyridine binding site. J Mol Cell Cardiol. 1995 Jan;27(1):253-62.@@Tikhonov DB, Zhorov BS: Structural model for dihydropyridine binding to L-type calcium channels. J Biol Chem. 2009 Jul 10;284(28):19006-17. doi: 10.1074/jbc.M109.011296. Epub 2009 May 5.@@Yamaguchi S, Okamura Y, Nagao T, Adachi-Akahane S: Serine residue in the IIIS5-S6 linker of the L-type Ca2+ channel alpha 1C subunit is the critical determinant of the action of dihydropyridine Ca2+ channel agonists. J Biol Chem. 2000 Dec 29;275(52):41504-11. doi: 10.1074/jbc.M007165200."	Experimental	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Dihydropyridine Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Vasodilating Agents; Calcium-Regulating Hormones and Agents; Dihydropyridines; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Bradycardia-Causing Agents	COC(=O)C1=C(C)NC(C)=C([C@H]1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)O[C@H]1CCN(CC2=CC=CC=C2)C1						310265132					Barnidipine	CHEMBL2103761	39879
DB09229	Aranidipine	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	antagonist			Experimental	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Antiarrhythmic agents; Potential QTc-Prolonging Agents; QTc Prolonging Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Vasodilating Agents; Calcium Channel Blockers; Cytochrome P-450 CYP3A Substrates; Bradycardia-Causing Agents; Cytochrome P-450 CYP3A4 Substrates; Pyridines	COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)=O						310265133	D01562				Aranidipine	CHEMBL2104030	
DB09235	Efonidipine	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN		12070536	"Tanaka H, Shigenobu K: Efonidipine hydrochloride: a dual blocker of L- and T-type ca(2+) channels. Cardiovasc Drug Rev. 2002 Winter;20(1):81-92."	Experimental	Phenylbenzamines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines	QTc Prolonging Agents; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Benzene Derivatives; Pyridines; Hypotensive Agents; Cardiovascular Agents; Cytochrome P-450 Substrates; Agents causing hyperkalemia; Cytochrome P-450 Enzyme Inhibitors; Phenols; Calcium Channel Blockers; Cytochrome P-450 CYP3A Inhibitors; Membrane Transport Modulators; Cytochrome P-450 CYP3A4 Inhibitors; Potential QTc-Prolonging Agents; Nitro Compounds; Diuretics; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Vasodilating Agents; Calcium-Regulating Hormones and Agents; Cytochrome P-450 CYP3A4 Substrates; Antiarrhythmic agents; Natriuretic Agents; Bradycardia-Causing Agents	CC1=C(C(C2=CC=CC(=C2)[N+]([O-])=O)C(=C(C)N1)P1(=O)OCC(C)(C)CO1)C(=O)OCCN(CC1=CC=CC=C1)C1=CC=CC=C1						310265139					Efonidipine	CHEMBL2074922	
DB09237	Levamlodipine	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	antagonist	25966690; 30645721	"Striessnig J, Ortner NJ, Pinggera A: Pharmacology of L-type Calcium Channels: Novel Drugs for Old Targets? Curr Mol Pharmacol. 2015;8(2):110-22.@@Johnson R, Dludla P, Mabhida S, Benjeddou M, Louw J, February F: Pharmacogenomics of amlodipine and hydrochlorothiazide therapy and the quest for improved control of hypertension: a mini review. Heart Fail Rev. 2019 May;24(3):343-357. doi: 10.1007/s10741-018-09765-y."	Approved; Investigational	Dihydropyridinecarboxylic acids and derivatives	Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines	Antiarrhythmic agents; Cytochrome P-450 CYP3A5 Substrates; Antihypertensive Agents Indicated for Hypertension; Cytochrome P-450 Substrates; Calcium Channel Blockers; Antihypertensive Agents; Cytochrome P-450 CYP3A Substrates; Selective Calcium Channel Blockers With Mainly Vascular Effects; Nicotinic Acids; Cytochrome P-450 CYP3A7 Substrates; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Dihydropyridine Derivatives; Pyridines	CCOC(=O)C1=C(COCCN)NC(C)=C([C@@H]1C1=CC=CC=C1Cl)C(=O)OC						310265141					Levamlodipine	CHEMBL2111097	2376944
DB09330	Osimertinib	BE0000767	EGFR	P00533	EGFR_HUMAN	inhibitor	26522274; 34104899	"Yosaatmadja Y, Silva S, Dickson JM, Patterson AV, Smaill JB, Flanagan JU, McKeage MJ, Squire CJ: Binding mode of the breakthrough inhibitor AZD9291 to epidermal growth factor receptor revealed. J Struct Biol. 2015 Dec;192(3):539-44. doi: 10.1016/j.jsb.2015.10.018. Epub 2015  Nov 2.@@Vasconcelos PENS, Gergis C, Viray H, Varkaris A, Fujii M, Rangachari D, VanderLaan PA, Kobayashi IS, Kobayashi SS, Costa DB: EGFR-A763_Y764insFQEA Is a Unique Exon 20 Insertion Mutation That Displays Sensitivity to Approved and In-Development Lung Cancer EGFR Tyrosine Kinase Inhibitors. JTO Clin Res Rep. 2020 Sep;1(3). doi: 10.1016/j.jtocrr.2020.100051. Epub 2020 May 13."	Approved	N-alkylindoles	Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; N-alkylindoles	"Amines; Enzyme Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Substrates; Amides; Cytochrome P-450 CYP3A4 Inhibitors (weak); Protein Kinase Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP1A2 Inducers (strength unknown); Heterocyclic Compounds, Fused-Ring; Acrylates; Acids, Acyclic; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	COC1=C(NC2=NC=CC(=N2)C2=CN(C)C3=C2C=CC=C3)C=C(NC(=O)C=C)C(=C1)N(C)CCN(C)C					22731	310265210		PA166131626			Osimertinib	CHEMBL3353410	1721560
DB09559	Necitumumab	BE0000767	EGFR	P00533	EGFR_HUMAN	antagonist	20197484	"Kuenen B, Witteveen PO, Ruijter R, Giaccone G, Dontabhaktuni A, Fox F, Katz T, Youssoufian H, Zhu J, Rowinsky EK, Voest EE: A phase I pharmacologic study of necitumumab (IMC-11F8), a fully human IgG1 monoclonal antibody directed against EGFR in patients with advanced solid malignancies. Clin Cancer Res. 2010 Mar 15;16(6):1915-23. doi: 10.1158/1078-0432.CCR-09-2425. Epub 2010 Mar 2."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies, Monoclonal; Serum Globulins; Cancer immunotherapy; Immunoproteins; EGFR (Epidermal Growth Factor Receptor) inhibitors; Globulins; Amino Acids, Peptides, and Proteins; Antibodies; Immunotherapy; HER1 Antagonists; Proteins; ErbB Receptors, antagonists & inhibitors; Antineoplastic Agents; Immunoglobulins; Antineoplastic Agents, Immunological; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic and Immunomodulating Agents; Epidermal Growth Factor Receptor Antagonist; Narrow Therapeutic Index Drugs; Blood Proteins"						22862	347910462	D10018				Necitumumab		1723738
DB10772	Foreskin keratinocyte (neonatal)	BE0000767	EGFR	P00533	EGFR_HUMAN	agonist			Approved			Allogeneic Cultured Cell Scaffold														1427138
DB11093	Calcium citrate	BE0008710	CADPS2	Q86UW7	CAPS2_HUMAN	agonist			Approved; Investigational	Tricarboxylic acids and derivatives	Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives	"Food Ingredients; Polyvalent cation containing laxatives, antacids, oral supplements; Calcium Salts; Mineral Supplements; Hydroxy Acids; Elements; Alimentary Tract and Metabolism; Biological Factors; Dicarboxylic Acids; Metals; Diet, Food, and Nutrition; Radioisotopes; Citrates; Calcium-Regulating Hormones and Agents; Food; Metals, Alkaline Earth; Acids, Acyclic; Compounds used in a research, industrial, or household setting; Physiological Phenomena; Tricarboxylic Acids; Calcium Compounds; Food Additives"	[Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O					4803	347827894					Calcium_citrate	CHEMBL2106123	47613
DB11294	Coccidioides immitis spherule	BE0003482	HLA-A	P04439	1A03_HUMAN	binder	28367149	"Wieczorek M, Abualrous ET, Sticht J, Alvaro-Benito M, Stolzenberg S, Noe F, Freund C: Major Histocompatibility Complex (MHC) Class I and MHC Class II Proteins: Conformational Plasticity in Antigen Presentation. Front Immunol. 2017 Mar 17;8:292. doi: 10.3389/fimmu.2017.00292. eCollection 2017."	Approved			Skin Test Antigen; Cell-mediated Immunity							347911178							1549330
DB11294	Coccidioides immitis spherule	BE0004790	HLA-DRA	P01911	2B1F_HUMAN	binder	28367149	"Wieczorek M, Abualrous ET, Sticht J, Alvaro-Benito M, Stolzenberg S, Noe F, Freund C: Major Histocompatibility Complex (MHC) Class I and MHC Class II Proteins: Conformational Plasticity in Antigen Presentation. Front Immunol. 2017 Mar 17;8:292. doi: 10.3389/fimmu.2017.00292. eCollection 2017."	Approved			Skin Test Antigen; Cell-mediated Immunity							347911178							1549330
DB11294	Coccidioides immitis spherule	BE0003483	HLA-A	P04439	1A03_HUMAN		28367149	"Wieczorek M, Abualrous ET, Sticht J, Alvaro-Benito M, Stolzenberg S, Noe F, Freund C: Major Histocompatibility Complex (MHC) Class I and MHC Class II Proteins: Conformational Plasticity in Antigen Presentation. Front Immunol. 2017 Mar 17;8:292. doi: 10.3389/fimmu.2017.00292. eCollection 2017."	Approved			Skin Test Antigen; Cell-mediated Immunity							347911178							1549330
DB11348	Calcium Phosphate	BE0008710	CADPS2	Q86UW7	CAPS2_HUMAN	agonist			Approved	Alkaline earth metal phosphates	Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates	"Ceramics; Calcium Salts; Phosphorus Compounds; Mineral Supplements; Phosphoric Acids; Acids; Phosphorus Acids; Calcium Compounds; Biocompatible Materials; Phosphate salts; Alimentary Tract and Metabolism; Acids, Noncarboxylic; Compounds used in a research, industrial, or household setting"	[Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O					4803	347827972					Calcium_phosphate	CHEMBL2106566	1919
DB11633	Isavuconazole	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	inhibitor	28074556	"Keirns J, Desai A, Kowalski D, Lademacher C, Mujais S, Parker B, Schneidkraut MJ, Townsend R, Wojtkowski T, Yamazaki T, Yen M, Kowey PR: QT Interval Shortening With Isavuconazole: In Vitro and In Vivo Effects on Cardiac Repolarization. Clin Pharmacol Ther. 2017 Jun;101(6):782-790. doi: 10.1002/cpt.620. Epub 2017 Feb 13."	Approved; Investigational	Phenylpropanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes	Cytochrome P-450 CYP2D6 Inhibitors; OCT2 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (moderate); Cytochrome P-450 CYP3A Substrates; Antiinfectives for Systemic Use; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; UGT1A9 Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Antifungal Agents; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inducers; Azole Antifungals; Cytochrome P-450 CYP2C19 inhibitors (strength unknown); Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; P-glycoprotein inhibitors; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP3A5 Substrates; Cytochrome P-450 CYP2C8 Inducers (weak); Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); Triazole Derivatives; Cytochrome P-450 CYP3A4 Inducers (weak); Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (weak); Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Triazole and tetrazole derivatives; Anti-Infective Agents; Isavuconazole and Prodrugs; Cytochrome P-450 CYP3A5 Inhibitors (moderate); Cytochrome P-450 CYP2C9 Inducers (weak); Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C19 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Antimycotics for Systemic Use; Cytochrome P-450 CYP3A4 Substrates (strength unknown)	C[C@@H](C1=NC(=CS1)C1=CC=C(C=C1)C#N)[C@](O)(CN1C=NC=N1)C1=C(F)C=CC(F)=C1											Isavuconazonium	CHEMBL409153	1720882
DB11638	Artenimol	BE0000904	CAST	P20810	ICAL_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11638	Artenimol	BE0004528	EEF1A1	P68104	EF1A1_HUMAN	ligand	26340163	"Ravindra KC, Ho WE, Cheng C, Godoy LC, Wishnok JS, Ong CN, Wong WS, Wogan GN, Tannenbaum SR: Untargeted Proteomics and Systems-Based Mechanistic Investigation of Artesunate in Human Bronchial Epithelial Cells. Chem Res Toxicol. 2015 Oct 19;28(10):1903-13. doi: 10.1021/acs.chemrestox.5b00105. Epub 2015 Sep 21."	Approved; Experimental; Investigational			"Cytochrome P-450 CYP2D6 Inhibitors; UGT2B7 substrates; Cytochrome P-450 Enzyme Inhibitors; Antiparasitic Products, Insecticides and Repellents; Antiprotozoals; Antimalarials; Artemisia; Cytochrome P-450 CYP2C19 Inhibitors (weak); Terpenes; Sesquiterpenes; Free Radicals; Cytochrome P-450 CYP2D6 Inhibitors (strength unknown); Antiparasitic Agents; Reactive Oxygen Species; Anti-Infective Agents; Peroxides; UGT1A9 Substrates; Artemisinin and derivatives; Cytochrome P-450 CYP2C19 Inhibitors"	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4											Dihydroartemisinin	CHEMBL25164	
DB11731	Depatuxizumab mafodotin	BE0000767	EGFR	P00533	EGFR_HUMAN	antibody	26846818	"Phillips AC, Boghaert ER, Vaidya KS, Mitten MJ, Norvell S, Falls HD, DeVries PJ, Cheng D, Meulbroek JA, Buchanan FG, McKay LM, Goodwin NC, Reilly EB: ABT-414, an Antibody-Drug Conjugate Targeting a Tumor-Selective EGFR Epitope. Mol Cancer Ther. 2016 Apr;15(4):661-9. doi: 10.1158/1535-7163.MCT-15-0901. Epub 2016 Feb 4."	Investigational			"Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunologic Factors; Immunoproteins; Antibodies, Monoclonal, Humanized; Proteins; Globulins; Blood Proteins; Amino Acids, Peptides, and Proteins"							347828090					Depatuxizumab_mafodotin		
DB11737	Icotinib	BE0000767	EGFR	P00533	EGFR_HUMAN	antagonist			Experimental; Investigational	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Cytochrome P-450 CYP3A Substrates; Ethers; Cytochrome P-450 CYP3A5 Inducers (weak); Protein Kinase Inhibitors; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Antineoplastic Agents; Ethers, Cyclic; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP3A5 Inducers (moderate); Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Crown Compounds; Antineoplastic and Immunomodulating Agents; Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP1A2 Substrates"	C#CC1=CC=CC(NC2=NC=NC3=CC4=C(OCCOCCOCCO4)C=C23)=C1						347828095		PA166114460			Icotinib	CHEMBL2087361	
DB11752	Bryostatin 1	BE0001132	PRKCA	P17252	KPCA_HUMAN	activator	29693282	"Khan TK, Nelson TJ: Protein kinase C activator bryostatin-1 modulates proteasome function. J Cell Biochem. 2018 Aug;119(8):6894-6904. doi: 10.1002/jcb.26887. Epub 2018 Apr 25."	Investigational			"Polyether Polyketides; Anti-Bacterial Agents; Adjuvants, Immunologic; Ethers; Marine Toxins; Immunologic Factors; Cytochrome P-450 Enzyme Inhibitors; Polyether Toxins; Cytochrome P-450 CYP3A Inhibitors; Toxins, Biological; Macrolides; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; Ethers, Cyclic; Biological Factors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Lactones; Enzyme Activation"	[H][C@]12C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@]3([H])C\C(C[C@@]([H])(O3)\C=C\C(C)(C)[C@]3(O)O[C@@]([H])(C\C(=C/C(=O)OC)[C@@H]3OC(=O)\C=C\C=C\CCC)C[C@@]([H])(OC(=O)C[C@H](O)C1)[C@@H](C)O)=C\C(=O)OC)O2						347828109					Bryostatin	CHEMBL449158	
DB11828	Neratinib	BE0000767	EGFR	P00533	EGFR_HUMAN	inhibitor			Approved; Investigational	4-aminoquinolines	Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Aminoquinolines and derivatives	"Kinase Inhibitor; P-glycoprotein inhibitors; Antineoplastic and Immunomodulating Agents; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 Substrates; Enzyme Inhibitors; Human epidermal growth factor receptor 2 (HER2) tyrosine kinase inhibitors; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Narrow Therapeutic Index Drugs; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic Agents; Protein Kinase Inhibitors"	CCOC1=C(NC(=O)\C=C\CN(C)C)C=C2C(NC3=CC=C(OCC4=CC=CC=N4)C(Cl)=C3)=C(C=NC2=C1)C#N					23331	347828174					Neratinib	CHEMBL180022	1940643
DB11963	Dacomitinib	BE0000767	EGFR	P00533	EGFR_HUMAN	inhibitor	9751783; 23294134	"Fry DW, Bridges AJ, Denny WA, Doherty A, Greis KD, Hicks JL, Hook KE, Keller PR, Leopold WR, Loo JA, McNamara DJ, Nelson JM, Sherwood V, Smaill JB, Trumpp-Kallmeyer S, Dobrusin EM: Specific, irreversible inactivation of the epidermal growth factor receptor and erbB2, by a new class of tyrosine kinase inhibitor. Proc Natl Acad Sci U S A. 1998 Sep 29;95(20):12022-7.@@Brzezniak C, Carter CA, Giaccone G: Dacomitinib, a new therapy for the treatment of non-small cell lung cancer. Expert Opin Pharmacother. 2013 Feb;14(2):247-53. doi: 10.1517/14656566.2013.758714. Epub 2013 Jan 7."	Approved; Investigational	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Cytochrome P-450 CYP2D6 Inhibitors; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index; P-glycoprotein substrates; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP2D6 Substrates; Heterocyclic Compounds, Fused-Ring; Cytochrome P-450 CYP2D6 Inhibitors (strong); Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP2C9 Substrates; Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors; OCT1 inhibitors; Narrow Therapeutic Index Drugs; Quinazolines; Cytochrome P-450 CYP3A4 Substrates (strength unknown)"	COC1=C(NC(=O)\C=C\CN2CCCCC2)C=C2C(NC3=CC(Cl)=C(F)C=C3)=NC=NC2=C1					23131	347828287	D09883				Dacomitinib	CHEMBL2110732	2058848
DB11986	Entrectinib	BE0009501	NTRK3	Q16288	NTRK3_HUMAN	inhibitor	30050303; 26457764; 26939704; 30425456	"Liu D, Offin M, Harnicar S, Li BT, Drilon A: Entrectinib: an orally available, selective tyrosine kinase inhibitor for the treatment of NTRK, ROS1, and ALK fusion-positive solid tumors. Ther Clin Risk Manag. 2018 Jul 20;14:1247-1252. doi: 10.2147/TCRM.S147381. eCollection 2018.@@Rolfo C, Ruiz R, Giovannetti E, Gil-Bazo I, Russo A, Passiglia F, Giallombardo M, Peeters M, Raez L: Entrectinib: a potent new TRK, ROS1, and ALK inhibitor. Expert Opin Investig Drugs. 2015;24(11):1493-500. doi: 10.1517/13543784.2015.1096344. Epub 2015 Oct 12.@@Ardini E, Menichincheri M, Banfi P, Bosotti R, De Ponti C, Pulci R, Ballinari D, Ciomei M, Texido G, Degrassi A, Avanzi N, Amboldi N, Saccardo MB, Casero D, Orsini P, Bandiera T, Mologni L, Anderson D, Wei G, Harris J, Vernier JM, Li G, Felder E, Donati D, Isacchi A, Pesenti E, Magnaghi P, Galvani A: Entrectinib, a Pan-TRK, ROS1, and ALK Inhibitor with Activity in Multiple Molecularly Defined Cancer Indications. Mol Cancer Ther. 2016 Apr;15(4):628-39. doi: 10.1158/1535-7163.MCT-15-0758. Epub 2016 Mar 3.@@Pacenta HL, Macy ME: Entrectinib and other ALK/TRK inhibitors for the treatment of neuroblastoma. Drug Des Devel Ther. 2018 Oct 23;12:3549-3561. doi: 10.2147/DDDT.S147384. eCollection 2018."	Approved; Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	"QTc Prolonging Agents; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Amides; Benzene Derivatives; Protein Kinase Inhibitors; Cytochrome P-450 Substrates; ROS1 tyrosine kinase inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Heterocyclic Compounds, Fused-Ring; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Pyrazoles; Narrow Therapeutic Index Drugs"	CN1CCN(CC1)C1=CC=C(C(=O)NC2=NNC3=CC=C(CC4=CC(F)=CC(F)=C4)C=C23)C(NC2CCOCC2)=C1					23398	347828307					Entrectinib	CHEMBL1983268	2197862
DB12010	Fostamatinib	BE0009429	DCLK1	O15075	DCLK1_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0000767	EGFR	P00533	EGFR_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0004315	LYN	P07948	LYN_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12010	Fostamatinib	BE0009501	NTRK3	Q16288	NTRK3_HUMAN	inhibitor	26516587	"Rolf MG, Curwen JO, Veldman-Jones M, Eberlein C, Wang J, Harmer A, Hellawell CJ, Braddock M: In vitro pharmacological profiling of R406 identifies molecular targets underlying the clinical effects of fostamatinib. Pharmacol Res Perspect. 2015 Oct;3(5):e00175. doi: 10.1002/prp2.175. Epub 2015 Sep 4."	Approved; Investigational	Methoxyanilines	Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines	Amines; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Pyridines; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Experimental Unapproved Treatments for COVID-19; Cytochrome P-450 Enzyme Inhibitors; Oxazines; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Kinase Inhibitor; Blood and Blood Forming Organs; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Hemostatics; Vasodilating Agents; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; UGT1A9 Substrates; Phosphodiesterase 5 Inhibitors	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC					23528	347828328					Fostamatinib	CHEMBL2103830	2044896
DB12114	Poziotinib	BE0000767	EGFR	P00533	EGFR_HUMAN	inhibitor	27188206	"Han JY, Lee KH, Kim SW, Min YJ, Cho E, Lee Y, Lee SH, Kim HY, Lee GK, Nam BH, Han H, Jung J, Lee JS: A Phase II Study of Poziotinib in Patients with Epidermal Growth Factor Receptor (EGFR)-Mutant Lung Adenocarcinoma Who Have Acquired Resistance to EGFR-Tyrosine Kinase Inhibitors. Cancer Res Treat. 2017 Jan;49(1):10-19. doi: 10.4143/crt.2016.058. Epub 2016 May 3."	Investigational	Quinazolinamines	Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Benzodiazines	"Heterocyclic Compounds, Fused-Ring"	COC1=C(OC2CCN(CC2)C(=O)C=C)C=C2C(NC3=CC=C(Cl)C(Cl)=C3F)=NC=NC2=C1						347828415					Poziotinib	CHEMBL3545154	
DB12202	Zalutumumab	BE0000767	EGFR	P00533	EGFR_HUMAN	antagonist	15383606	"Bleeker WK, Lammerts van Bueren JJ, van Ojik HH, Gerritsen AF, Pluyter M, Houtkamp M, Halk E, Goldstein J, Schuurman J, van Dijk MA, van de Winkel JG, Parren PW: Dual mode of action of a human anti-epidermal growth factor receptor monoclonal antibody for cancer therapy. J Immunol. 2004 Oct 1;173(7):4699-707."	Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Immunoglobulins; Serum Globulins; Immunoproteins; Proteins; Globulins; Blood Proteins; Antineoplastic Agents, Immunological; Amino Acids, Peptides, and Proteins; Antineoplastic Agents"							347911297	D10031				Zalutumumab	CHEMBL2107861	
DB12267	Brigatinib	BE0000767	EGFR	P00533	EGFR_HUMAN	inhibitor	23239810; 25888090; 28597393	"Ceccon M, Mologni L, Bisson W, Scapozza L, Gambacorti-Passerini C: Crizotinib-resistant NPM-ALK mutants confer differential sensitivity to unrelated Alk inhibitors. Mol Cancer Res. 2013 Feb;11(2):122-32. doi: 10.1158/1541-7786.MCR-12-0569. Epub 2012 Dec 13.@@Iragavarapu C, Mustafa M, Akinleye A, Furqan M, Mittal V, Cang S, Liu D: Novel ALK inhibitors in clinical use and development. J Hematol Oncol. 2015 Feb 27;8:17. doi: 10.1186/s13045-015-0122-8.@@Markham A: Brigatinib: First Global Approval. Drugs. 2017 Jul;77(10):1131-1135. doi: 10.1007/s40265-017-0776-3."	Approved; Investigational	Phenylpiperidines	Organic compounds; Organoheterocyclic compounds; Piperidines; Phenylpiperidines	Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A Substrates; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Substrates; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Anaplastic lymphoma kinase (ALK) inhibitors; Cytochrome P-450 CYP3A4 Inducers; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; MATE 2 Inhibitors; Cytochrome P-450 CYP3A Inducers; Narrow Therapeutic Index Drugs	COC1=CC(=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1)N1CCC(CC1)N1CCN(C)CC1					22968	347828538		PA166163482			Brigatinib	CHEMBL3545311	1921217
DB12278	Propiverine	BE0000430	CACNA1C	Q13936	CAC1C_HUMAN	antagonist	16406943	"Maruyama S, Oki T, Otsuka A, Shinbo H, Ozono S, Kageyama S, Mikami Y, Araki I, Takeda M, Masuyama K, Yamada S: Human muscarinic receptor binding characteristics of antimuscarinic agents to treat overactive bladder. J Urol. 2006 Jan;175(1):365-9."	Approved; Investigational	Diphenylmethanes	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes	"Adrenergic alpha-1 Receptor Antagonists; Cytochrome P-450 CYP3A Substrates; Adrenergic alpha-Antagonists; Agents producing tachycardia; Cholinergic Agents; Autonomic Agents; Urological Agents; Phenylacetates; Cytochrome P-450 Substrates; Hydroxy Acids; Drugs that are Mainly Renally Excreted; Genito Urinary System and Sex Hormones; Anticholinergic Agents; Acids, Carbocyclic; Adrenergic Antagonists; Urologicals; Agents that produce hypertension; Cytochrome P-450 CYP3A4 Substrates; Genitourinary Agents; Peripheral Nervous System Agents; Parasympatholytics; Drugs for Urinary Frequency and Incontinence; Muscarinic Antagonists; Diphenylacetic Acids; Neurotransmitter Agents"	CCCOC(C(=O)OC1CCN(C)CC1)(C1=CC=CC=C1)C1=CC=CC=C1					22838	347828547	D08441				Propiverine	CHEMBL1078261	55175
DB12695	Phenethyl Isothiocyanate	BE0004572	VCP	P55072	TERA_HUMAN		21838287	"Mi L, Hood BL, Stewart NA, Xiao Z, Govind S, Wang X, Conrads TP, Veenstra TD, Chung FL: Identification of potential protein targets of isothiocyanates by proteomics. Chem Res Toxicol. 2011 Oct 17;24(10):1735-43. doi: 10.1021/tx2002806. Epub 2011 Aug 26."	Investigational	Benzene and substituted derivatives	Organic compounds; Benzenoids; Benzene and substituted derivatives	"Anticarcinogenic Agents; Aldehyde Dehydrogenase, antagonists & inhibitors; Enzyme Inhibitors; Protective Agents; Sulfur Compounds; Noxae; Toxic Actions; Carcinogens; Antineoplastic Agents; Isocyanates; Compounds used in a research, industrial, or household setting"	S=C=NCCC1=CC=CC=C1						347828896					Phenethyl_isothiocyanate	CHEMBL151649	
DB13164	Olmutinib	BE0000767	EGFR	P00533	EGFR_HUMAN	inhibitor	26898616	"Tan CS, Cho BC, Soo RA: Next-generation epidermal growth factor receptor tyrosine kinase inhibitors in epidermal growth factor receptor -mutant non-small cell lung cancer. Lung Cancer. 2016 Mar;93:59-68. doi: 10.1016/j.lungcan.2016.01.003. Epub 2016 Jan 8.@@Kwang O-K, Cha MY, Kim M, Song JY, Lee J-H, Kim YH, Lee Y-M, Suh KH, Son J.: Abstract LB-100: Discovery of HM61713 as an orally available and mutant EGFR selective inhibitor Cancer Res. 2014 October;74(19 Suppl.):Abstract nr LB-100."	Investigational	Phenylpiperazines	Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines	Antineoplastic and Immunomodulating Agents; Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors; Antineoplastic Agents; Protein Kinase Inhibitors	CN1CCN(CC1)C1=CC=C(NC2=NC(OC3=CC=CC(NC(=O)C=C)=C3)=C3SC=CC3=N2)C=C1						347829271	D10859				Olmutinib	CHEMBL3786343	
DB14001	alpha-Tocopherol succinate	BE0001132	PRKCA	P17252	KPCA_HUMAN		17139284; 17016423; 9430404; 11736999; 11850093	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Azzi A, Boscoboinik D, Clement S, Marilley D, Ozer NK, Ricciarelli R, Tasinato A: Alpha-tocopherol as a modulator of smooth muscle cell proliferation. Prostaglandins Leukot Essent Fatty Acids. 1997 Oct;57(4-5):507-14.@@Sylvester PW, McIntyre BS, Gapor A, Briski KP: Vitamin E inhibition of normal mammary epithelial cell growth is associated with a reduction in protein kinase C(alpha) activation. Cell Prolif. 2001 Dec;34(6):347-57.@@Huang Y, Ishizuka T, Miura A, Kajita K, Ishizawa M, Kimura M, Yamamoto Y, Kawai Y, Morita H, Uno Y, Yasuda K: Effect of 1 alpha,25-dihydroxy vitamin D3 and vitamin E on insulin-induced glucose uptake in rat adipocytes. Diabetes Res Clin Pract. 2002 Mar;55(3):175-83."	Approved; Nutraceutical; Vet_approved	Vitamin E compounds	Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids	"Tocopherols; Antioxidants; Physiological Phenomena; Vitamins; Biological Factors; Benzopyrans; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamins (Fat Soluble); Protective Agents; Food; Micronutrients; Vitamin E; Pyrans; Compounds used in a research, industrial, or household setting"	[H][C@@](C)(CCCC(C)C)CCC[C@@]([H])(C)CCC[C@]1(C)CCC2=C(C)C(OC(=O)CCC(O)=O)=C(C)C(C)=C2O1					701							CHEMBL81421	
DB14002	D-alpha-Tocopherol acetate	BE0001132	PRKCA	P17252	KPCA_HUMAN		17139284; 17016423; 9430404; 11736999; 11850093	"Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.@@Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34.@@Azzi A, Boscoboinik D, Clement S, Marilley D, Ozer NK, Ricciarelli R, Tasinato A: Alpha-tocopherol as a modulator of smooth muscle cell proliferation. Prostaglandins Leukot Essent Fatty Acids. 1997 Oct;57(4-5):507-14.@@Sylvester PW, McIntyre BS, Gapor A, Briski KP: Vitamin E inhibition of normal mammary epithelial cell growth is associated with a reduction in protein kinase C(alpha) activation. Cell Prolif. 2001 Dec;34(6):347-57.@@Huang Y, Ishizuka T, Miura A, Kajita K, Ishizawa M, Kimura M, Yamamoto Y, Kawai Y, Morita H, Uno Y, Yasuda K: Effect of 1 alpha,25-dihydroxy vitamin D3 and vitamin E on insulin-induced glucose uptake in rat adipocytes. Diabetes Res Clin Pract. 2002 Mar;55(3):175-83."	Approved; Nutraceutical; Vet_approved			"Tocopherols; Antioxidants; Physiological Phenomena; Vitamins; Biological Factors; Benzopyrans; Heterocyclic Compounds, Fused-Ring; Diet, Food, and Nutrition; Vitamins (Fat Soluble); Protective Agents; Food; Micronutrients; Vitamin E; Pyrans; Compounds used in a research, industrial, or household setting"	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(C)C(OC(C)=O)=C(C)C(C)=C2O1					2295		D01735				Tocopheryl_acetate	CHEMBL1047	1441649
DB14481	Calcium phosphate dihydrate	BE0008710	CADPS2	Q86UW7	CAPS2_HUMAN				Approved	Alkaline earth metal phosphates	Inorganic compounds; Mixed metal/non-metal compounds; Alkaline earth metal oxoanionic compounds; Alkaline earth metal phosphates	"Phosphorus Compounds; Phosphoric Acids; Acids; Calcium Compounds; Phosphate salts; Phosphorus Acids; Acids, Noncarboxylic"	O.O.[Ca++].OP([O-])([O-])=O													1310463
DB14487	Zinc acetate	BE0004528	EEF1A1	P68104	EF1A1_HUMAN		14534351	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7."	Approved; Investigational			"Minerals; Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Acids, Acyclic; Various Alimentary Tract and Metabolism Products; Acetates; Alimentary Tract and Metabolism; Vasoprotectives; Metal cations"	[Zn++].CC([O-])=O.CC([O-])=O					331						Zinc_acetate	CHEMBL1200928	1299637
DB14533	Zinc chloride	BE0004528	EEF1A1	P68104	EF1A1_HUMAN	binder	14534351	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7."	Approved; Investigational	Transition metal chlorides	Inorganic compounds; Mixed metal/non-metal compounds; Transition metal salts; Transition metal chlorides	"Blood Substitutes and Perfusion Solutions; Acids; Vasoprotectives; Basic Ointments and Protectants; Electrolyte Solutions; Metal cations; Electrolytes; Dental Agents; I.V. Solution Additives; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Cosmetics; Household Products; Anions; Ions; Blood and Blood Forming Organs; EENT Drugs, Miscellaneous; Compounds used in a research, industrial, or household setting; Skin Ulcer, drug therapy; Zinc Compounds; Metal divalent cations; Chlorine Compounds; Mouthwashes; Acids, Noncarboxylic"	[Cl-].[Cl-].[Zn++]					331						Zinc_chloride	CHEMBL1200679	
DB14548	"Zinc sulfate, unspecified form"	BE0004528	EEF1A1	P68104	EF1A1_HUMAN	binder	14534351	"She YM, Narindrasorasak S, Yang S, Spitale N, Roberts EA, Sarkar B: Identification of metal-binding proteins in human hepatoma lines by immobilized metal affinity chromatography and mass spectrometry. Mol Cell Proteomics. 2003 Dec;2(12):1306-18. Epub 2003 Oct 7."	Approved; Experimental			Zinc Compounds; Metal divalent cations; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Metal cations; Vasoprotectives														
DB14723	Larotrectinib	BE0009501	NTRK3	Q16288	NTRK3_HUMAN	inhibitor			Approved; Investigational			BCRP/ABCG2 Substrates; Kinase Inhibitor; Antineoplastic and Immunomodulating Agents; Tropomyosin Receptor Kinases Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 CYP3A Substrates; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Protein Kinase Inhibitors	O[C@H]1CCN(C1)C(=O)NC1=C2N=C(C=CN2N=C1)N1CCC[C@@H]1C1=C(F)C=CC(F)=C1					23320						Larotrectinib	CHEMBL3889654	2105628
DB15035	Zanubrutinib	BE0000767	EGFR	P00533	EGFR_HUMAN	inhibitor	31340982; 31381333	"Tam CS, Trotman J, Opat S, Burger JA, Cull G, Gottlieb D, Harrup R, Johnston PB, Marlton P, Munoz J, Seymour JF, Simpson D, Tedeschi A, Elstrom R, Yu Y, Tang Z, Han L, Huang J, Novotny W, Wang L, Roberts AW: Phase 1 study of the selective BTK inhibitor zanubrutinib in B-cell malignancies and safety and efficacy evaluation in CLL. Blood. 2019 Sep 12;134(11):851-859. doi: 10.1182/blood.2019001160. Epub 2019 Jul 24.@@Guo Y, Liu Y, Hu N, Yu D, Zhou C, Shi G, Zhang B, Wei M, Liu J, Luo L, Tang Z, Song H, Guo Y, Liu X, Su D, Zhang S, Song X, Zhou X, Hong Y, Chen S, Cheng Z, Young S, Wei Q, Wang H, Wang Q, Lv L, Wang F, Xu H, Sun H, Xing H, Li N, Zhang W, Wang Z, Liu G, Sun Z, Zhou D, Li W, Liu L, Wang L, Wang Z: Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem. 2019 Sep 12;62(17):7923-7940. doi: 10.1021/acs.jmedchem.9b00687. Epub 2019 Aug 19."	Approved; Investigational	Diphenylethers	Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers	Cytochrome P-450 CYP2B6 Substrates with a Narrow Therapeutic Index; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; Cytochrome P-450 CYP2B6 Substrates; Cytochrome P-450 Enzyme Inducers; Cytochrome P-450 Substrates; Bruton's tyrosine kinase (BTK) inhibitors; P-glycoprotein substrates; Antineoplastic Agents; Cytochrome P-450 CYP2B6 Inducers; Kinase Inhibitor; Bruton's Tyrosine Kinase Inhibitors; Tyrosine Kinase Inhibitors; P-glycoprotein substrates with a Narrow Therapeutic Index; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP2B6 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index; Hematologic Agents; Teratogens; Narrow Therapeutic Index Drugs	NC(=O)C1=C2NCC[C@@H](C3CCN(CC3)C(=O)C=C)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1					23569						Zanubrutinib	CHEMBL3936761	2262435
DB15327	Abivertinib	BE0000767	EGFR	P00533	EGFR_HUMAN	inhibitor			Investigational			"Acrylates; Enzyme Inhibitors; Experimental Unapproved Treatments for COVID-19; Acids, Acyclic; Amides; Tyrosine Kinase Inhibitors; Protein Kinase Inhibitors"	CN1CCN(CC1)C1=C(F)C=C(NC2=NC(OC3=CC=CC(NC(=O)C=C)=C3)=C3C=CNC3=N2)C=C1												CHEMBL4297865	
DB15593	Golodirsen	BE0009794	DMD	P11532	DMD_HUMAN	inducer	29301272; 24554202; 30171533; 31576784	"Aslesh T, Maruyama R, Yokota T: Skipping Multiple Exons to Treat DMD-Promises and Challenges. Biomedicines. 2018 Jan 2;6(1). pii: biomedicines6010001. doi: 10.3390/biomedicines6010001.@@Kinter J, Sinnreich M: Molecular targets to treat muscular dystrophies. Swiss Med Wkly. 2014 Feb 19;144:w13916. doi: 10.4414/smw.2014.13916.@@Rodrigues M, Yokota T: An Overview of Recent Advances and Clinical Applications of Exon Skipping and Splice Modulation for Muscular Dystrophy and Various Genetic Diseases. Methods Mol Biol. 2018;1828:31-55. doi: 10.1007/978-1-4939-8651-4_2.@@Hwang J, Yokota T: Recent advancements in exon-skipping therapies using antisense oligonucleotides and genome editing for the treatment of various muscular dystrophies. Expert Rev Mol Med. 2019 Oct 2;21:e5. doi: 10.1017/erm.2019.5."	Approved			"Musculo-Skeletal System; Polynucleotides; Nucleic Acids; Oligonucleotides; Drugs that are Mainly Renally Excreted; Nucleic Acid Probes; Nucleic Acids, Nucleotides, and Nucleosides; Antisense Oligonucleotides; Nucleotides; Antisense Elements (Genetics); Molecular Probes; Laboratory Chemicals; Compounds used in a research, industrial, or household setting"												Golodirsen		2267207
DB15822	Pralsetinib	BE0009501	NTRK3	Q16288	NTRK3_HUMAN	inhibitor			Approved; Investigational			OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; OAT1/SLC22A6 inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; MATE 1 Inhibitors; Protein Kinase Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors (strength unknown); Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A4 Inhibitors; Antineoplastic Agents; BCRP/ABCG2 Substrates; Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; P-glycoprotein inhibitors; OATP1B3 inhibitors; Cytochrome P-450 CYP2D6 Substrates; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); Cytochrome P-450 CYP3A5 Inducers; Cytochrome P-450 CYP2C9 Inhibitors (strength unknown); MATE inhibitors; Rearranged during Transfection (RET) Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Antineoplastic and Immunomodulating Agents; MATE 2 Inhibitors; BSEP/ABCB11 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP3A5 Inducers (strength unknown); Cytochrome P-450 CYP1A2 Substrates	CO[C@@]1(CC[C@@H](CC1)C1=NC(NC2=NNC(C)=C2)=CC(C)=N1)C(=O)N[C@@H](C)C1=CC=C(N=C1)N1C=C(F)C=N1					23611						Pralsetinib	CHEMBL4582651	2394936
DB16390	Mobocertinib	BE0000767	EGFR	P00533	EGFR_HUMAN	inhibitor			Approved; Investigational			"QTc Prolonging Agents; Amines; Enzyme Inhibitors; Cytochrome P-450 CYP3A Substrates; Protein Kinase Inhibitors; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; P-glycoprotein substrates; Antineoplastic Agents; Kinase Inhibitor; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A5 Substrates; Heterocyclic Compounds, Fused-Ring; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Antineoplastic and Immunomodulating Agents; Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors; Cytochrome P-450 CYP3A7 Substrates"	COC1=C(NC2=NC=C(C(=O)OC(C)C)C(=N2)C2=CN(C)C3=C2C=CC=C3)C=C(NC(=O)C=C)C(=C1)N(C)CCN(C)C											Mobocertinib		2570736
DB16695	Amivantamab	BE0000767	EGFR	P00533	EGFR_HUMAN	antibody	33839159; 32747419; 32770372	"Neijssen J, Cardoso RMF, Chevalier KM, Wiegman L, Valerius T, Anderson GM, Moores SL, Schuurman J, Parren PWHI, Strohl WR, Chiu ML: Discovery of amivantamab (JNJ-61186372), a bispecific antibody targeting EGFR and MET. J Biol Chem. 2021 Apr 8:100641. doi: 10.1016/j.jbc.2021.100641.@@Vijayaraghavan S, Lipfert L, Chevalier K, Bushey BS, Henley B, Lenhart R, Sendecki J, Beqiri M, Millar HJ, Packman K, Lorenzi MV, Laquerre S, Moores SL: Amivantamab (JNJ-61186372), an Fc Enhanced EGFR/cMet Bispecific Antibody, Induces Receptor Downmodulation and Antitumor Activity by Monocyte/Macrophage Trogocytosis. Mol Cancer Ther. 2020 Oct;19(10):2044-2056. doi: 10.1158/1535-7163.MCT-20-0071. Epub 2020 Aug 3.@@Cavaliere A, Sun S, Lee S, Bodner J, Li Z, Huang Y, Moores SL, Marquez-Nostra B: Development of [(89)Zr]ZrDFO-amivantamab bispecific to EGFR and c-MET for PET imaging of triple-negative breast cancer. Eur J Nucl Med Mol Imaging. 2021 Feb;48(2):383-394. doi: 10.1007/s00259-020-04978-6. Epub 2020 Aug 8."	Approved; Investigational	Peptides	"Organic Compounds; Organic Acids; Carboxylic Acids and Derivatives; Amino Acids, Peptides, and Analogues"	"Antibodies; Antibodies, Monoclonal; Antineoplastic and Immunomodulating Agents; Immunoglobulins; Serum Globulins; Immunoproteins; Bispecific Monoclonal Antibodies; Proteins; Globulins; Blood Proteins; Antineoplastic Agents, Immunological; Amino Acids, Peptides, and Proteins; MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES; Antineoplastic Agents"						23711						Amivantamab		2549198
DB16826	Repotrectinib	BE0009501	NTRK3	Q16288	NTRK3_HUMAN	inhibitor			Approved; Investigational			OATP1B1/SLCO1B1 Inhibitors; Cytochrome P-450 CYP3A Substrates; UGT1A1 Inhibitors; Cytochrome P-450 CYP3A5 Inhibitors; Cytochrome P-450 Enzyme Inducers; BCRP/ABCG2 Inhibitors; Cytochrome P-450 Substrates; Cytochrome P-450 Enzyme Inhibitors; Cytochrome P-450 CYP3A4 Inducers (strength unknown); Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers (strength unknown); ROS1 tyrosine kinase inhibitors; Cytochrome P-450 CYP3A4 Inducers; P-glycoprotein substrates; Cytochrome P-450 CYP3A4 Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2C19 Inducers (strength unknown); Kinase Inhibitor; Cytochrome P-450 CYP2C8 Inducers; P-glycoprotein inhibitors; Cytochrome P-450 CYP3A4 Inhibitors (strength unknown); MATE inhibitors; Tyrosine Kinase Inhibitors; Cytochrome P-450 CYP3A4 Substrates; Cytochrome P-450 CYP3A5 Inhibitors (strength unknown); Cytochrome P-450 CYP2B6 Inducers (strength unknown); Cytochrome P-450 CYP2C8 Inducers (strength unknown); Cytochrome P-450 CYP2C19 Inducers; MATE 2 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP2C9 Inducers	C[C@H]1CNC(=O)C2=C3N=C(N[C@H](C)C4=CC(F)=CC=C4O1)C=CN3N=C2											Repotrectinib	CHEMBL4298138	2670644