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Compounds Sorted by Binding Data per Compound

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Compounds Sorted Alphabetically

Compound Name (alphabetical)	Enz. Inhib. Data							ITC Data	Binding Targets	Alternate Compound Names
	Ki	IC50	Kd	EC50	Koff	Kon	Other
BDBM11113	2	30	0	0	0	0	0	0	Dipeptidyl peptidase 2 (DPP II) Dipeptidyl peptidase 4 Dipeptidyl peptidase IV Dipeptidyl peptidase VIII	6-{[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)ethyl]amino}pyridine-3-carbonitrile BMCL15687 Compound 2 CHEMBL77538 NVP-DPP728 cyano-(S)-pyrrolidine deriv. 1 cyanopyrrolidine derivative 2
BDBM11635	32	0	0	0	0	0	0	0	Astrosclerin-3 Carbonic Anhydrase III Carbonic Anhydrase IV Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 9	4-sulfamoyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide CHEMBL51668 Sulfonamide 2
BDBM16034	3	28	0	1	0	0	0	0	Beta-secretase 1 Beta-secretase 2 Cathepsin D Renin	1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide 5-Substituted isophthalamide, 1 CHEMBL378225 Isophthalamide Derivative 24 L-000384950 N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide hydroxyethylamine (HEA) derived inhibitor 1
BDBM18957	6	25	0	1	0	0	0	0	Anti-estrogen binding site (AEBS) Antrax lethal toxin Bile salt export pump C-8 sterol isomerase Carnitine O-palmitoyltransferase 1, liver isoform Carnitine O-palmitoyltransferase 1, muscle isoform Carnitine palmitoyltransferase 2 Cruzipain Cytochrome P450 2C8 Genome polyprotein P-glycoprotein 1 Potassium voltage-gated channel subfamily H member 2 Sigma non-opioid intracellular receptor 1 Sodium channel protein type 7 subunit alpha Squalene monooxygenase Squalene synthetase Thyroid Hormone Receptor (TR-alpha) Thyroid Hormone Receptor (TR-beta) Thyroid hormone receptor Voltage-gated L-type calcium channel thyroid beta ubiquitin-conjugating enzyme E2 N	(2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-diiodophenoxy}ethyl)diethylamine AMIODARONE HYDROCHLORIDE Amiodarone CHEMBL633 Cordarone L 3428 cid_441325
BDBM20461	12	7	0	13	0	0	0	0	Bile salt export pump Cannabinoid receptor 1 Cannabinoid receptor 2 Cyclooxygenase-1 (COX-1) Transient receptor potential cation channel subfamily M member 8 Transient receptor potential cation channel subfamily V member 1 Tyrosyl-tRNA synthetase Vanilloid receptor Voltage-gated potassium channel subfamily A member 1/beta-1	(6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide CAP CHEMBL294199 Capsaicin Zostrix
BDBM22985	0	29	1	2	0	0	0	0	Bacteriophage T4 DNA Ligase Bile salt export pump Calcium-dependent protein kinase 1 Cytochrome P450 3A DNA Ligase (MtuLigA) Dihydrofolate reductase Histidine-rich protein Phosphoethanolamine N-methyltransferase Potassium voltage-gated channel subfamily H member 2 Prion protein Protein kinase Pfmrk Riboflavin-binding protein Ribosyldihydronicotinamide dehydrogenase [quinone]	Aralen CHEMBL76 CHLOROQUINE PHOSPHATE Chlorochin Chloroquine Chloroquine, 17 {4-[(7-chloroquinolin-4-yl)amino]pentyl}diethylamine
BDBM26218	19	13	0	0	0	0	0	0	Baculoviral IAP repeat-containing protein 2 Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3) Baculoviral IAP repeat-containing protein 8 X-linked inhibitor of apoptosis protein (XIAP) XIAP-BIR3	(3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methylamino)propanamido]-5-oxo-decahydropyrrolo[1,2-a]azocine-3-carboxamide CHEMBL481422 bicyclic Smac peptide mimetic, 20
BDBM27879	0	32	0	0	0	0	0	0	Cytochrome P450 1A Cytochrome P450 2C19 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 3A Dual specificity mitogen-activated protein kinase kinase 1 Epidermal growth factor receptor Focal adhesion kinase 1 Hepatocyte growth factor receptor Insulin receptor Insulin-like growth factor 1 receptor Insulin-like growth factor I receptor Receptor tyrosine-protein kinase erbB-2 Tyrosine-protein kinase Lck Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)	4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-1,3-benzodiazol-2-yl]-1,2-dihydropyridin-2-one BMS-536924 CHEMBL401930
BDBM28802	0	16	0	16	0	0	0	0	1,3-beta-glucan synthase component GLS2 Cytochrome P450 1A Cytochrome P450 2B6 Cytochrome P450 2C19 Cytochrome P450 2C8 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 3A Glucocorticoid receptor Liver X receptor Peroxisome Proliferator-Activated Receptor alpha Peroxisome proliferator-activated receptor Peroxisome proliferator-activated receptor alpha Peroxisome proliferator-activated receptor alpha (PPAR alpha) Peroxisome proliferator-activated receptor delta Retinoid X receptor	2-{[(5-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}-2-fluorophenyl)methyl](methoxycarbonyl)amino}acetic acid BMS-711939
BDBM31756	0	30	0	2	0	0	0	0	DNA dC->dU-editing enzyme APOBEC-3G Dual Specificity Protein Phosphatase 1 Dual specificity phosphatase Cdc25B Gag-Pol polyprotein Glyceraldehyde-3-phosphate dehydrogenase liver Heat Shock 70kDa Protein 1 Hematopoietic protein-tyrosine phosphatase (HEPTP) Induced myeloid leukemia cell differentiation protein Mcl-1 MKP-3 POsterior Segregation family member (pos-1) RecName: Full=Zinc finger protein mex-5 Tyrosine-protein phosphatase non-receptor type 22 eukaryotic translation initiation factor 4 gamma, 1 isoform 4 heat shock 70kDa protein 8 isoform 2 large T antigen nuclear receptor subfamily 4, group A, member 1 probable DNA dC->dU-editing enzyme APOBEC-3A	6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid MLS-0007635.0001 cid_646406
BDBM34671	0	23	2	7	0	0	0	0	Apoptotic peptidase activating factor 1 Apurinic-apyrimidinic endonuclease 1 (APE-1) Caspase-9 DNA recombination protein RecA HSP90 and hnRNPA2/B1 Hematopoietic protein-tyrosine phosphatase (HEPTP) Lipoamide Dehydrogenase (Lpd) MPI protein MSRA protein Phospholipase A2 Pyruvate dehydrogenase (PDH) Serine/threonine-protein kinase PLK1 Sphingosine 1-Phosphate Receptor 2 Trypanosoma brucei RNA editing ligase 1 Tyrosine-protein kinase ABL1 Tyrosine-protein phosphatase non-receptor type 22 Valosin-containing protein cell division cycle 42 (GTP binding protein, 25kDa) cysteine protease ATG4B isoform a mothers against decapentaplegic homolog 3 nuclear receptor corepressor 2 isoform 2 photoreceptor-specific nuclear receptor streptokinase A precursor tyrosyl-DNA phosphodiesterase 2	1,3,6-Trimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione 1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione 1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-quinone MLS000528498 SMR000121073 US9073941, 611 cid_460747
BDBM43856	28	4	0	0	0	0	0	0	DNA repair protein RAD51 homolog 1 Myristoyl-CoA:protein N-myristoyltransferase (Nmt) neutrophil cytosolic factor 1	4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothiochromen-4-ylidene)amino]benzenesulfonamide 4-ethoxy-N-[(6-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiopyran-4-ylidene)amino]benzenesulfonamide 4-ethoxy-N-[(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]benzenesulfonamide 4-ethoxy-N-[[6-fluoranyl-1,1-bis(oxidanylidene)-2,3-dihydrothiochromen-4-ylidene]amino]benzenesulfonamide MLS000761277 Non peptidic, 3 SMR000369580 cid_3596078
BDBM50002173	27	4	0	1	0	0	0	0	5-hydroxytryptamine receptor 1A (5-HT1A) 5-hydroxytryptamine receptor 1D 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2C Adrenergic alpha1B Adrenergic receptor alpha Alpha-1A adrenergic receptor Alpha-1D adrenergic receptor Alpha-2A adrenergic receptor Alpha-2B adrenergic receptor Alpha-2C adrenergic receptor Beta-1 adrenergic receptor Beta-2 adrenergic receptor and beta-3 adrenergic receptor D(1A) dopamine receptor D(2) dopamine receptor D(3) dopamine receptor DOPAMINE Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a) Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor Dopamine D5 receptor Dopamine receptors; D2 & D4 Histamine H1 receptor Serotonin (5-HT) receptor Serotonin receptor (2b and 2c)	3-(4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl)-1H-indol-5-ol 3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-ol 3-[4-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)butyl]-1H-indol-5-ol CHEMBL431367 roxindole
BDBM50005247	19	10	1	2	0	0	0	0	5-HT3A Serotonin Receptor 5-hydroxytryptamine receptor 1A (5-HT1A) D(1A) dopamine receptor D(2) dopamine receptor Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a) Dopamine Transporter (DAT) Monoamine transporters; Norepininephrine & dopamine Monoamine transporters; serotonin & dopamine Norepinephrine Monoamine transporters Norepinephrine transporter Serotonin (5-HT) receptor Serotonin 2 (5-HT2) receptor Serotonin receptor (2b and 2c) Serotonin receptor 2a and 2b (5HT2A and 5HT2B) Serotonin receptor 2a and 2c (5HT2A and 5HT2C) Sodium-dependent noradrenaline transporter Sodium-dependent serotonin transporter	(+/-)2-Benzo[1,3]dioxol-5-yl-1-methyl-ethylamine (-)2-Benzo[1,3]dioxol-5-yl-1-methyl-ethylamine (R)-(-)-2-Benzo[1,3]dioxol-5-yl-1-methyl-ethylamine (S)-(+)-2-Benzo[1,3]dioxol-5-yl-1-methyl-ethylamine 2-Benzo[1,3]dioxol-5-yl-1-methyl-ethylamine 2-Benzo[1,3]dioxol-5-yl-1-methyl-ethylamine((R)-(-)-MDA) 3,4-methylenedioxyamphetamine CHEMBL6731 MDA MDA, (R,S) MDA,R(-) Tenamfetamine methylenedioxyamphetamine
BDBM50012957	4	27	0	1	0	0	0	0	ATP synthase subunit gamma, mitochondrial ATP-binding cassette sub-family G member 2 Alpha-chymotrypsin Beta-lactamase AmpC Bile salt export pump Bile salt export pump (BSEP) CDGSH iron-sulfur domain-containing protein 1 Cholesteryl ester transfer protein Cystic fibrosis transmembrane conductance regulator Malate dehydrogenase cytoplasmic NLRP3 protein Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 1 Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2 Potassium voltage-gated channel subfamily H member 2 Solute carrier family 22 member 6 Solute carrier organic anion transporter family member 1B1 (OATP1B1) Twik-RElated Potassium (K+) channel 1 (TREK1)	1-((p-(2-(5-chloro-o-anisamido)ethyl)phenyl)sulfonyl)-3-cyclohexylurea 1-(p-(2-(5-chloro-2-methoxybenzamido)ethyl)benzenesulfonyl)-3-cyclohexylurea 5-chloro-N-(2-(4-((((cyclohexylamino)carbonyl)amino)sulfonyl)phenyl)ethyl)-2-methoxybenzamide 5-chloro-N-(2-{4-[N-(N-cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide CHEMBL472 GLYBURIDE Glibenclamide
BDBM50020883	0	32	0	0	0	0	0	0	Betaine transporter GABA transporter GABA transporter 1 GABA transporter 3	(R)-Piperidine-3-carboxylic acid (R)-nipecotic acid CHEMBL77575 Nipecotic acid
BDBM50025206	31	0	1	0	0	0	0	0	5-hydroxytryptamine receptor 1A (5-HT1A) 5-hydroxytryptamine receptor 1D 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2C Adrenergic alpha1B Adrenergic receptor alpha Alpha-1A adrenergic receptor Alpha-1D adrenergic receptor Alpha-2A adrenergic receptor Alpha-2B adrenergic receptor Alpha-2C adrenergic receptor Beta-1 adrenergic receptor Beta-2 adrenergic receptor and beta-3 adrenergic receptor D(1A) dopamine receptor D(2) dopamine receptor D(3) dopamine receptor DOPAMINE DRD2 Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor Dopamine D5 receptor Dopamine receptor Dopamine receptors; D2 & D4 Histamine H1 receptor Serotonin receptor (2b and 2c)	(6,7-Dihydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-dimethyl-ammonium TL99
BDBM50028166	1	31	0	0	0	0	0	0	Aromatase (CYP19) Bile salt export pump Cytochrome P450 11B Cytochrome P450 11B1 Cytochrome P450 11B1, mitochondrial Cytochrome P450 11B2 (CYP11B2) Cytochrome P450 17A1 Cytochrome P450 3A	CHEMBL934 METYRAPONE US9138393, Metyrapone US9144538, Metyrapone US9394290, MTP (metyrapone)
BDBM50030881	0	32	0	0	0	0	0	0	Casein kinase I isoform delta Cyclin-dependent kinase 2 Cyclin-dependent kinase 4 Cyclin-dependent kinase 6 Dual specificity mitogen-activated protein kinase kinase 1 Ephrin type-B receptor 4 (EphB4) Epidermal growth factor receptor Glycogen synthase kinase-3 beta Hepatocyte growth factor receptor Inhibitor of NF-kappa-B kinase (IKK) Insulin-like growth factor I receptor Interleukin-1 receptor-associated kinase 4 MAP kinase p38 Mitogen-activated protein kinase 1 Protein kinase C alpha type RAC-alpha serine/threonine-protein kinase AKT1 RAF serine/threonine protein kinase Rho-associated protein kinase 2 Ribosomal protein S6 kinase alpha-3 Serine/threonine-protein kinase Chk1 Serine/threonine-protein kinase MST2 Serine/threonine-protein kinase Nek2 Serine/threonine-protein kinase PLK3 Testis-specific serine/threonine-protein kinase 2 Tyrosine-protein kinase ABL1 Tyrosine-protein kinase JAK2 Tyrosine-protein kinase Lck Tyrosine-protein kinase receptor FLT3 Vascular endothelial growth factor receptor 1	CHEMBL3356117
BDBM50035622	6	20	0	6	0	0	0	0	PTGFR Prostaglandin E2 receptor Prostaglandin E2 receptor EP1 subtype (EP1) Prostaglandin E2 receptor EP2 subtype Prostaglandin E2 receptor EP4 subtype Prostaglandin F2-alpha receptor Prostaglandin Transporter Prostaglandin transporter (PGT) Prostanoid DP receptor Prostanoid IP receptor Prostanoid TP receptor Solute carrier organic anion transporter family member 2A1 Solute carrier organic anion transporter family member 2B1	(5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,13-dien-1-oic acid CHEMBL815 DINOPROST PGF2alpha l-PGF2-alpha l-Prostaglandin F2-alpha prostaglandin F2alpha
BDBM50072064	12	20	0	0	0	0	0	0	Bile salt export pump Cyclooxygenase Cyclooxygenase-1 (COX-1) Cytochrome P450 3A Mitogen-activated protein kinase 14 Prostaglandin E synthase/G/H synthase 2 Prostaglandin E2 receptor EP2 subtype Solute carrier organic anion transporter family member 1B1 (OATP1B1)	5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[2,3'']bipyridinyl 5-Chloro-3-(4-methanesulfonyl-phenyl)-6'-methyl-[2,3']bipyridinyl 5-chloro-2-(6-methylpyridin-3-yl)-3-(4-(methylsulfonyl)phenyl)pyridine 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine CHEMBL416146 ETORICOXIB
BDBM50090677	2	30	0	0	0	0	0	0	Cytochrome P450 2C18 Cytochrome P450 2C19 Cytochrome P450 2C8 Cytochrome P450 2C9 Cytochrome P450 2J2 Sterol 14α-demethylase (CYP51) Uridine-5'-diphosphoglucuronosyltransferase 1A1 Uridine-5'-diphosphoglucuronosyltransferase 1A4 Uridine-5'-diphosphoglucuronosyltransferase 1A6 Uridine-5'-diphosphoglucuronosyltransferase 2B10 Uridine-5'-diphosphoglucuronosyltransferase 2B7	4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfonamide 4-amino-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide CHEMBL1109 SULFAPHENAZOLE Sulfabid Sulphaphenazole US9180183, Sulfaphenazole
BDBM50092080	0	32	0	0	0	0	0	0	ALK tyrosine kinase receptor BDNF/NT-3 growth factors receptor Fibroblast growth factor receptor 3 Fibroblast growth factor receptor 4 Hepatocyte growth factor receptor High affinity nerve growth factor receptor Insulin receptor Insulin-like growth factor I receptor Macrophage colony-stimulating factor 1 receptor Macrophage-stimulating protein receptor Mast/stem cell growth factor receptor Kit NT-3 growth factor receptor Platelet-derived growth factor receptor beta Proto-oncogene tyrosine-protein kinase ROS Proto-oncogene tyrosine-protein kinase Src Proto-oncogene tyrosine-protein kinase receptor Ret RAF serine/threonine protein kinase SRC Tyrosine-protein kinase ABL1 Tyrosine-protein kinase BMX Tyrosine-protein kinase JAK2 Tyrosine-protein kinase Lck Tyrosine-protein kinase Lyn Tyrosine-protein kinase Mer Tyrosine-protein kinase SYK Tyrosine-protein kinase ZAP-70 Tyrosine-protein kinase receptor FLT3 Tyrosine-protein kinase receptor Tie-1 Vascular endothelial growth factor receptor 1 Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)	CHEMBL3582427
BDBM50099737	0	29	0	3	0	0	0	0	Apoptotic peptidase activating factor 1 Caspase-9 Cathepsin (B and K) Cathepsin L1 Cathepsin S DNA damage-inducible transcript 3 protein Fas-associated protein-tyrosine phosphatase 1 (FAP1) Focal adhesion kinase 1 G-protein coupled receptor 55 Leukocyte common antigen Lipoamide Dehydrogenase (Lpd) MPI protein MSRA protein Neuropeptide Y receptor type 1 PTK2B protein tyrosine kinase 2 beta (PTK2B) Phospholipase A2 Phospholipase C, gamma 1 Phospholipase C-beta-3 Protein-tyrosine phosphatase 1B Pyruvate dehydrogenase (PDH) Serine/threonine-protein kinase PLK1 XBP1 cysteine protease ATG4B isoform a mothers against decapentaplegic homolog 3 protein artemis isoform a tyrosyl-DNA phosphodiesterase 2	2-Amino-phenanthrene-9,10-dione CHEMBL417727 US9073941, 902 cid_254021
BDBM50126732	0	32	0	0	0	0	0	0	3-phosphoinositide dependent protein kinase-1 Cyclin-dependent kinase 2 Cyclin-dependent kinase 4 Epidermal growth factor receptor Glycogen synthase kinase-3 beta Hepatocyte growth factor receptor Inhibitor of NF-kappa-B kinase (IKK) Insulin receptor MAP kinase p38 MAP kinase-activated protein kinase 2 MAP kinase-activated protein kinase 5 Mitogen-activated protein kinase; ERK1/ERK2 Protein kinase C (PKC) Proto-oncogene tyrosine-protein kinase Src RAC-alpha serine/threonine-protein kinase AKT1 Receptor tyrosine-protein kinase erbB-2 Rho-associated protein kinase 2 Ribosomal protein S6 kinase 2/S6K1 Ribosomal protein S6 kinase alpha 5 Serine/threonine-protein kinase Chk1 Serine/threonine-protein kinase Sgk1 Tyrosine-protein kinase BTK Tyrosine-protein kinase ITK/TSK Tyrosine-protein kinase Lck Tyrosine-protein kinase Lyn Tyrosine-protein kinase SYK Tyrosine-protein kinase ZAP-70 Vascular endothelial growth factor receptor c-Jun N-terminal kinase, JNK cAMP-dependent protein kinase (PKA)	2-(2,6-Dichloro-phenylamino)-7-(3-diethylamino-propenyl)-1,6-dimethyl-1,8-dihydro-imidazo[4,5-h]isoquinolin-9-one CHEMBL281957
BDBM50166588	0	32	0	0	0	0	0	0	Aurora kinase B CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase) Casein kinase I isoform delta Cyclin-Dependent Kinase 2 (CDK2) Dual specificity mitogen-activated protein kinase kinase 1 Dual specificty protein kinase CLK1 Ephrin receptor Epidermal growth factor receptor Focal adhesion kinase 1 Glycogen synthase kinase-3 beta Hepatocyte growth factor receptor High affinity nerve growth factor receptor Insulin receptor Interleukin-1 receptor-associated kinase 4 MAP kinase-activated protein kinase 2 Mitogen-activated protein kinase 14 Mitogen-activated protein kinase 3 Mitogen-activated protein kinase kinase kinase 5 PKC alpha and beta-2 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Protein kinase C (PKC) Protein kinase C alpha type Protein kinase C delta type Protein kinase C theta type Proto-oncogene tyrosine-protein kinase Src Rho-associated protein kinase 1 Rho-associated protein kinase 2 Serine/threonine-protein kinase Chk1 Serine/threonine-protein kinase PLK1 Tyrosine-protein kinase JAK1 Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)	CHEMBL3798011
BDBM50187377	29	2	0	1	0	0	0	0	5-Hydroxytryptamine receptor 6 (5-HT6) 5-Hydroxytryptamine receptor 7 (5-HT7) 5-hydroxytryptamine receptor 1A (5-HT1A) 5-hydroxytryptamine receptor 1D 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2C 5-hydroxytryptamine receptor 4 (5-HT4) Adrenergic receptor beta Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor Angiotensin II receptor Cholecystokinin receptor D(2) dopamine receptor Dopamine receptor Endothelin receptor, ET-A/ET-B Monoamine transporters; serotonin & dopamine Muscarinic acetylcholine receptor Nociceptin receptor Opioid receptors; mu/kappa/delta Potassium voltage-gated channel subfamily H member 2 Serotonin (5-HT) receptor Serotonin 1B/1D receptor Serotonin 3 receptor (5HT3) Serotonin receptor (2b and 2c) Sigma non-opioid intracellular receptor 1 Sodium-dependent noradrenaline transporter Somatostatin receptor Translocator protein	CHEMBL209821 N-(3-(4-(4-(cyclohexylmethylsulfonamido)butyl)piperazin-1-yl)phenyl)acetamide N-{3-[4-(4-cyclohexylmethanesulfonylamino-butyl)-piperazin-1-yl]-phenyl}-acetamide
BDBM50236959	12	0	0	20	0	0	0	0	D(3) dopamine receptor D2-like dopamine receptor Dopamine D1 and D2 receptor Dopamine D2 receptor and serotonin 2a receptor Dopamine receptor Dopamine receptor D2L/neurotensin receptor NTS1	CHEMBL4060461
BDBM50278312	32	0	0	0	0	0	0	0	α-Carbonic anhydrase (αCA) β-Carbonic anhydrase (βCA) Alpha-carbonic anhydrase Astrosclerin-3 Beta-carbonic anhydrase Carbonic Anhydrase XIII Carbonic anhydrase Carbonic anhydrase 1 Carbonic anhydrase 2 Carbonic anhydrase 4 Carbonic anhydrase 7 Gamma-carbonic anhydrase	CHEMBL445433 sodium stannate(IV)
BDBM50280055	32	0	0	0	0	0	0	0	5-HT3A Serotonin Receptor 5-HT5B 5-Hydroxytryptamine receptor 6 (5-HT6) 5-Hydroxytryptamine receptor 7 (5-HT7) 5-hydroxytryptamine receptor 1A (5-HT1A) 5-hydroxytryptamine receptor 1B 5-hydroxytryptamine receptor 1D Alpha-1A adrenergic receptor D(1A) dopamine receptor D(2) dopamine receptor D(3) dopamine receptor HTR1D HTR6 Serotonin (5-HT) receptor Serotonin 1B/1D receptor Serotonin receptor 2a and 2b (5HT2A and 5HT2B) Serotonin receptor 2a and 2c (5HT2A and 5HT2C)	50285557 7-Methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline-9-carboxylic acid ((2R,5S,10bS)-5-benzyl-10b-hydroxy-2-methyl-3,6-dioxo-octahydro-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-amide DHE
BDBM50315069	0	32	0	0	0	0	0	0	Aurora kinase B CDK2/Cyclin A/Cyclin A1 Casein kinase I Cyclin-Dependent Kinase 1 (CDK1) Cytochrome P450 1A Cytochrome P450 2A6 Cytochrome P450 2B6 Cytochrome P450 2C19 Cytochrome P450 2C8 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 3A MAP kinase-activated protein kinase 2 Mitogen-activated protein kinase 1 Mitogen-activated protein kinase 14 Mitogen-activated protein kinase 2 PKC alpha and beta-2 Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform Platelet-derived growth factor receptor Potassium voltage-gated channel subfamily H member 2 Protein kinase C alpha type Proto-oncogene tyrosine-protein kinase Src Rho-associated protein kinase 1 Ribosomal protein S6 kinase alpha 1 SRC Serine/threonine-protein kinase Chk1 Tyrosine-protein kinase ABL1 Tyrosine-protein kinase Lyn Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)	1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-(tetrahydro-2H-pyran-4-yl)-1,3,5-triazin-2-yl)phenyl)-3-(4-(4-isopropylpiperazine-1-carbonyl)phenyl)urea CHEMBL1091356
BDBM50330441	1	30	0	1	0	0	0	0	5-Hydroxytryptamine receptor 6 (5-HT6) 5-Hydroxytryptamine receptor 7 (5-HT7) 5-hydroxytryptamine receptor 1A (5-HT1A) 5-hydroxytryptamine receptor 3A Adenosine receptor A1 Adenosine receptor A2 Adenosine receptor A3 Beta-1 adrenergic receptor D(1A) dopamine receptor D(2) dopamine receptor HTR4 Histamine H1 receptor Histamine H2 Receptor Kappa-type opioid receptor Monoamine transporters; serotonin & dopamine Mu-type opioid receptor Muscarinic acetylcholine receptor M1 Muscarinic acetylcholine receptor M2 Muscarinic acetylcholine receptor M3 Neuromedin-K receptor Neuropeptide Y receptor type 1 Neuropeptide Y receptor type 2 Serotonin (5-HT) receptor Serotonin 1B/1D receptor Sodium-dependent noradrenaline transporter Substance-K receptor	3-amino-2-(4-(4-(quinolin-2-yl)piperazin-1-yl)butyl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one CHEMBL1278088
BDBM50331277	0	32	0	0	0	0	0	0	Aurora kinase A Aurora kinase B CDK2/Cyclin A/Cyclin A1 Casein kinase II alpha Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3 Cyclin-Dependent Kinase 4 (CDK4) Cyclin-Dependent Kinase 5 (CDK5) Cyclin-dependent kinase 2 Death-associated protein kinase 1 Dual specificity mitogen-activated protein kinase kinase 1 Dual specificity protein kinase TTK Focal adhesion kinase 1 Inhibitor of NF-kappa-B kinase (IKK) Mitogen-activated protein kinase 14 PDZ-binding kinase PKC alpha and beta-2 Platelet-derived growth factor receptor beta Protein kinase C theta type Proto-oncogene tyrosine-protein kinase Src RAF serine/threonine protein kinase Serine/threonine-protein kinase Chk1 Serine/threonine-protein kinase MRCK beta Serine/threonine-protein kinase Nek2 Serine/threonine-protein kinase PLK1 Serine/threonine-protein kinase PLK4 Serine/threonine-protein kinase WEE1 Tyrosine-protein kinase ABL1 Tyrosine-protein kinase ITK/TSK Tyrosine-protein kinase receptor FLT3 Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2) p21-Activated kinase 2 (PAK2)	3-(6-methoxy-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine CHEMBL1288582
BDBM50336730	0	21	0	11	0	0	0	0	Cytochrome P450 2D6 (2D6) Cytochrome P450 3A Estradiol receptor beta (ERβ) Estrogen receptor Estrogen-related receptor alpha Estrogen-related receptor beta Estrogen-related receptor gamma Liver X receptor (LXR alpha AND LXR beta) Peroxisome proliferator-activated receptor Peroxisome proliferator-activated receptor alpha (PPAR alpha) Peroxisome proliferator-activated receptor delta Retinoic acid receptor RXR-alpha Retinoid X receptor gamma/retinoic acid receptor alpha	4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-methoxyphenoxy]-3-trifluoromethylbenzonitrile CHEMBL1671971
BDBM50339185	1	31	0	0	0	0	0	0	17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3) Aldo-keto reductase family 1 member C1 Aldo-keto reductase family 1 member C2 Aldo-keto reductase family 1 member C4 (AK1C4) Bile salt export pump Caspase-1 Caspase-3 Caspase-4 Caspase-5 Caspase-9 Cyclooxygenase Cyclooxygenase-1 (COX-1) Cytochrome P450 2J2 Prostaglandin G/H synthase (Cyclooxygenase-2) Prostaglandin G/H synthase (cyclooxygenase) Prostaglandin-H2 D-isomerase Solute carrier family 22 member 6	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid (S)-2-(6-Methoxy-naphthalen-2-yl)-propionic acid (S)-2-(6-methoxynaphthalen-2-yl)propanoic acid (S)-naproxen 2-(6-Methoxy-naphthalen-2-yl)-propionic acid 2-(6-Methoxy-naphthalen-2-yl)-propionic acid(naproxen) 2-(6-methoxy-2-naphthyl)propanoic acid 2-(6-methoxynaphthalen-2-yl)propanoic acid Aleve Anaprox CHEMBL154 Ec-naprosyn Equiproxen Naprelan Naprosyn Naproxen Naproxen2-(6-Methoxy-naphthalen-2-yl)-propionic acid RS-3540 S-NAPROXEN naproxene
BDBM50344942	4	18	1	9	0	0	0	0	Chitinase B Cytochrome P450 2J2 Cytochrome P450 3A Low molecular weight phosphotyrosine protein phosphatase (LMWPTP) Motilin receptor Multidrug and toxin extrusion protein 1 Organic anion-transporting polypeptide 1D1 (Oatp1d1) P-glycoprotein (P-gp) P-glycoprotein 1 P-glycoprotein 1 and 3 (MDR1a/MDR1b) Potassium voltage-gated channel subfamily H member 2 Serum albumin Sterol 14α-demethylase (CYP51)	CHEMBL532 E-MYCIN E ERYTHROMYCIN ERYTHROMYCIN ETHYLSUCCINATE Erycette Erymax Erythromycin A Erythromycin C Ilotycin T-Stat
BDBM50365264	0	15	17	0	0	0	0	0	ATPase family AAA domain-containing protein 2 Bromodomain-containing protein 2 Bromodomain-containing protein 3 Bromodomain-containing protein 4 CREB-binding protein	CHEMBL1738926
BDBM50368148	32	0	0	0	0	0	0	0	Muscarinic acetylcholine receptor Muscarinic acetylcholine receptor M1 Muscarinic acetylcholine receptor M3 Muscarinic receptor M1 and M2	CHEMBL325322
BDBM50370572	24	8	0	0	0	0	0	0	1,3-beta-glucan synthase component GLS2 D(2) dopamine receptor D(3) dopamine receptor Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor Dopamine receptor Histamine H1 receptor Potassium voltage-gated channel subfamily H member 2	CHEMBL85606 SB-277011
BDBM50425829	0	32	0	0	0	0	0	0	Aurora kinase A CDK2/Cyclin A/Cyclin A1 Casein kinase I isoform delta Epidermal growth factor receptor Fibroblast growth factor receptor 1 Glycogen synthase kinase-3 beta Hepatocyte growth factor receptor High affinity nerve growth factor receptor Inhibitor of NF-kappa-B kinase (IKK) Inhibitor of nuclear factor kappa-B kinase subunit epsilon Insulin receptor MAP kinase-activated protein kinase 2 Mitogen-activated protein kinase 1 P-selectin/P-selectin glycoprotein ligand 1 Protein kinase C (PKC) Proto-oncogene tyrosine-protein kinase Src Pyruvate dehydrogenase kinase isoenzyme 1 (PDK1) RAC-alpha serine/threonine-protein kinase AKT1 Serine/threonine-protein kinase CHK2 Serine/threonine-protein kinase Chk1 Serine/threonine-protein kinase PAK 4 Serine/threonine-protein kinase Sgk1 Serine/threonine-protein kinase TAO3 Serine/threonine-protein kinase pim-2 Tyrosine-protein kinase ABL1 Tyrosine-protein kinase BTK Tyrosine-protein kinase Lck Tyrosine-protein kinase Mer Tyrosine-protein kinase receptor TYRO3 Tyrosine-protein kinase receptor UFO Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)	CHEMBL2312304
BDBM50425830	0	32	0	0	0	0	0	0	Aurora kinase A CDK2/Cyclin A/Cyclin A1 Casein kinase I isoform delta Epidermal growth factor receptor Fibroblast growth factor receptor 1 Glycogen synthase kinase-3 beta Hepatocyte growth factor receptor High affinity nerve growth factor receptor Inhibitor of NF-kappa-B kinase (IKK) Inhibitor of nuclear factor kappa-B kinase subunit epsilon Insulin receptor MAP kinase-activated protein kinase 2 Mitogen-activated protein kinase 1 P-selectin/P-selectin glycoprotein ligand 1 Protein kinase C (PKC) Proto-oncogene tyrosine-protein kinase Src Pyruvate dehydrogenase kinase isoenzyme 1 (PDK1) RAC-alpha serine/threonine-protein kinase AKT1 Serine/threonine-protein kinase CHK2 Serine/threonine-protein kinase Chk1 Serine/threonine-protein kinase PAK 4 Serine/threonine-protein kinase Sgk1 Serine/threonine-protein kinase TAO3 Serine/threonine-protein kinase pim-2 Tyrosine-protein kinase ABL1 Tyrosine-protein kinase BTK Tyrosine-protein kinase Lck Tyrosine-protein kinase Mer Tyrosine-protein kinase receptor TYRO3 Tyrosine-protein kinase receptor UFO Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)	CHEMBL2312303
BDBM50425862	0	32	0	0	0	0

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