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Compounds Sorted by Binding Targets per Compound

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Compounds Sorted Alphabetically

Compound Name (alphabetical)	Binding Targets	Enz. Inhib. Data							ITC Data	Alternate Compound Names
		Ki	IC50	Kd	EC50	Koff	Kon	Other
BDBM10838	3-phosphoinositide dependent protein kinase-1 5-hydroxytryptamine receptor 1A 5-hydroxytryptamine receptor 1D 5-hydroxytryptamine receptor 2B 5-hydroxytryptamine receptor 2C 5-hydroxytryptamine receptor 5A 5-hydroxytryptamine receptor 7 Axin-1/Glycogen synthase kinase-3 beta CDK2/Cyclin A/Cyclin A1 Cyclin-Dependent Kinase 1 (CDK1) Cyclin-Dependent Kinase 5 (CDK5) Cyclin-Dependent Kinase 9 (CDK9) Cyclin-dependent kinase 1 Cyclin-dependent-like kinase 5 D(1B) dopamine receptor Glycogen Synthase Kinase-3, beta Muscarinic acetylcholine receptor M5 Sodium-dependent dopamine transporter cAMP-Dependent Protein Kinase (PKA) cGMP-Dependent Protein Kinase	7	13	0	0	0	0	0	0	3-(2-aminopyrimidin-4-yl)-1H-indol-4-ol Meridianin A
BDBM13934	HIV-1 Protease AE HIV-1 Protease AE Mutant (V82F) HIV-1 Protease AE-P HIV-1 Protease AE-P Mutant (F82V) HIV-1 Protease B Subtype HIV-1 Protease B Subtype Mutant (V82F) HIV-1 Protease Mutant M1 (L10I, G48V, I54V, L63P, V82A) HIV-1 Protease Mutant M2 (D30N, L63P, N88D) HIV-1 Protease Mutant M3 (L10I, L63P, A71V, G73S, I84V, L90M) HIV-1 protease Human immunodeficiency virus type 1 protease Human immunodeficiency virus type 1 reverse transcriptase P-glycoprotein 1 Protease Replicase polyprotein 1ab Solute carrier organic anion transporter family member 1B1 (OATP1B1) Solute carrier organic anion transporter family member 1B3 (OATP1B3) Solute carrier organic anion transporter family member 2B1 UDP-glucuronosyltransferase 1A1 Uridine-5'-diphosphoglucuronosyltransferase 1A1	23	17	1	1	0	0	0	0	Atazanavir BMS 232632 CGP 73547 CHEMBL1163 Latazanavir US10806794, Compound Atazanavir methyl N-[(1S)-1-[[(2S,3S)-3-hydroxy-4-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-1-phenyl-butan-2-yl]carbamoyl]-2,2-dimethyl-propyl]carbamate methyl N-[(1S)-1-{[(2S,3S)-3-hydroxy-4-[(2S)-2-[(methoxycarbonyl)amino]-3,3-dimethyl-N'-{[4-(pyridin-2-yl)phenyl]methyl}butanehydrazido]-1-phenylbutan-2-yl]carbamoyl}-2,2-dimethylpropyl]carbamate
BDBM14028	Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) Myosin light chain kinase, smooth muscle Polo-Like Kinase 3 Polo-Like Kinase 4 Rho-associated protein kinase 1 Rho-associated protein kinase 2 Rho-kinase (ROCK II) Serine/threonine-protein kinase PLK1 Serine/threonine-protein kinase PLK2 cAMP-Dependent Protein Kinase (PKA) cAMP-Dependent Protein Kinase (PKA) Mutant (E127D) cAMP-Dependent Protein Kinase (PKA) Mutant (L49I) cAMP-Dependent Protein Kinase (PKA) Mutant (L49I/Q181K/T183A) cAMP-Dependent Protein Kinase (PKA) Mutant (L49I/V123M/E127D/Q181K/T183A) cAMP-Dependent Protein Kinase (PKA) Mutant (L49I/V123M/Q181K/T183A) cAMP-Dependent Protein Kinase (PKA) Mutant (Q181K/T183A) cAMP-Dependent Protein Kinase (PKA) Mutant (T183A) cAMP-Dependent Protein Kinase (PKA) Mutant (V123M) cAMP-Dependent Protein Kinase (PKA) Mutant (V123M/Q181K/T183A) cAMP-Dependent Protein Kinase (PKA) Mutant (V123M/T183A)	8	18	0	0	0	0	0	0	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE 4-methyl-5-{[(2S)-2-methyl-1,4-diazepane-1-]sulfonyl}isoquinoline H-1152 H-1152P
BDBM14774	3',5'-cyclic phosphodiesterase Adenosine receptor A1 Adenosine receptor A2a Adenosine receptor A2b Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B Class I phosphodiesterase B1 (TbrPDEB1) Phosphodiesterase 4 Phosphodiesterase 8 Phosphodiesterase Type 10 (PDE10A) Phosphodiesterase Type 11 (PDE11A) Phosphodiesterase Type 2 (PDE2A) Phosphodiesterase Type 3 (PDE3B) Phosphodiesterase Type 4 (PDE4B) Phosphodiesterase Type 4 (PDE4D) Phosphodiesterase Type 5 (PDE5A) Phosphodiesterase Type 7 (PDE7B) Phosphodiesterase Type 9 (PDE9A) cAMP-specific 3',5'-cyclic phosphodiesterase 4A cAMP-specific 3',5'-cyclic phosphodiesterase 4B cAMP-specific 3',5'-cyclic phosphodiesterase 4D	4	48	0	0	0	0	0	0	3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide CHEMBL193240 DAXAS ROF Roflumilast
BDBM191640	ALK tyrosine kinase receptor Cereblon/Histone deacetylase 6 Hepatocyte growth factor receptor Histone deacetylase 1 Histone deacetylase 10 Histone deacetylase 11 Histone deacetylase 2 Histone deacetylase 3 Histone deacetylase 4 Histone deacetylase 5 Histone deacetylase 7 Histone deacetylase 8 Histone deacetylase 9 Mast/stem cell growth factor receptor Kit Platelet-derived growth factor receptor beta Proto-oncogene tyrosine-protein kinase Src Proto-oncogene tyrosine-protein kinase receptor Ret Tyrosine-protein kinase receptor FLT3 Tyrosine-protein kinase receptor UFO Vascular endothelial growth factor receptor 2	0	20	0	0	0	0	0	0	US9186318, 9
BDBM22231	Adenosine receptor A1 Coagulation factor VII/tissue factor Cyclooxygenase Cyclooxygenase-1 (COX-1) Cytochrome P450 19A1 Dual specificity protein phosphatase (VHR) Fatty acid binding protein muscle Fatty acid-binding protein 4 (FABP4) Fatty acid-binding protein 5 (FABP5) Fatty acid-binding protein 5 (FABP5)(DSm) Fatty acid-binding protein 5 (FABP5)(NLSm) Free fatty acid receptor 1 Free fatty acid receptor 4 Hematopoietic protein-tyrosine phosphatase (HEPTP) Lipoxygenase-1 Peroxisome proliferator-activated receptor Prostaglandin G/H synthase (Cyclooxygenase-2) Sterol O-acyltransferase 1 Sterol O-acyltransferase, Soat Trypsin	5	25	1	6	0	0	0	0	(9Z,12Z)-octadeca-9,12-dienoic acid CHEMBL267476 Linoleic Acid Linoleic acid (LA)
BDBM22876	Bile acid receptor Bile salt export pump Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 Cytochrome P450 1A Cytochrome P450 2C19 Cytochrome P450 2C8 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 3A Histamine H1 receptor Histamine H4 receptor Multidrug resistance-associated protein 4 Nuclear receptor subfamily 1 group I member 2 P-glycoprotein 1 Platelet activating factor receptor Potassium channel subfamily K member 9 Potassium voltage-gated channel subfamily H member 2 Sodium-dependent neutral amino acid transporter B(0)AT2 Voltage-gated L-type calcium channel	5	26	1	4	0	0	0	0	CHEMBL998 Claritin Loratadine Sch 29851 US9138431, LORATADINE (Claritin) US9333199, LORATADINE (Claritin) ethyl 4-{13-chloro-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene}piperidine-1-carboxylate
BDBM23208	Aldo-keto reductase family member 1B10 (AKR1B10) Aldose reductase (AR) Botulinum neurotoxin type A DNA polymerase beta G-protein coupled bile acid receptor 1 GP41 Glycogen phosphorylase, muscle form Human immunodeficiency virus type 1 protease Hypoxia-inducible factor prolyl hydroxylase Nonstructural protein 5 Nuclear factor NF-kappa-B Oxysterols receptor LXR-alpha Oxysterols receptor LXR-beta Pancreatic alpha-amylase Peroxisome proliferator-activated receptor gamma Phosphodiesterase isozyme 4 Protease SUMO1 activating enzyme subunit 1 Serum albumin Zinc finger protein GLI1	1	19	3	7	0	0	0	0	(1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-17-hydroxy-1,2,14,18,18-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosane-5-carboxylic acid Betulinic Acid, 24 CHEMBL269277 cid_64971
BDBM23409	α-glucosidase 3-oxoacyl-acyl-carrier protein reductase Aldose reductase Alpha-amylase Aurora kinase B Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 4 Carbonic anhydrase 7 Cytochrome P450 1A Cytochrome P450 1A1 Cytochrome P450 1B1 Enoyl-acyl-carrier protein reductase Inositol hexakisphosphate kinase 2 Inositol polyphosphate multikinase Mitogen-activated protein kinase 10 Mitogen-activated protein kinase 14 Pancreatic lipase Xanthine dehydrogenase/oxidase	10	14	0	0	0	0	1	0	3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one CHEMBL379064 Isorhamnetin Isorhamnetin (17)
BDBM25901	Bile salt export pump Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 Carbonic Anhydrase III Carbonic Anhydrase VA Carbonic Anhydrase VB Carbonic Anhydrase XIII Carbonic Anhydrase XIV Carbonic anhydrase Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 13 (CA XIII) Carbonic anhydrase 2 Carbonic anhydrase 4 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 7 Carbonic anhydrase 9 Carbonic anhydrase V Carbonic anhydrases; II & IX Multidrug resistance-associated protein 4	17	6	42	0	0	0	0	0	4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-sulfamoylbenzamide Indaflex Indapamide Indapamide (2) Lozol Noranat
BDBM26106	Alpha-ketoglutarate-dependent dioxygenase FTO Egl nine homolog 1 Egl nine homolog 2 Histone Lysine Demethylase Histone lysine demethylase PHF8 Homo sapiens lysine demethylase 2A (KDM2A) Hypoxia-inducible factor 1 (FIH) Lysine-specific demethylase 3A Lysine-specific demethylase 4A Lysine-specific demethylase 4A (KDM4A) Lysine-specific demethylase 4C Lysine-specific demethylase 5A Lysine-specific demethylase 5A (KDM5A) Lysine-specific demethylase 5B Lysine-specific demethylase 5C Lysine-specific demethylase 5C (KDM5C) Lysine-specific demethylase 5D (KDM5D) Lysine-specific demethylase 6B Prolyl 4-hydroxylase Prolyl 4-hydroxylase alpha-1 subunit	4	39	6	0	0	0	0	0	CHEMBL90852 N-oxalyl glycine, 1a NOG Oxalylglycine [(carboxymethyl)carbamoyl]formic acid
BDBM26188	3-dehydroquinate synthase Autoinducer 2-binding periplasmic protein luxP Carbonic Anhydrase III Carbonic Anhydrase VA Carbonic Anhydrase VB Carbonic Anhydrase XIII Carbonic Anhydrase XIV Carbonic anhydrase Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 15 Carbonic anhydrase 2 Carbonic anhydrase 3 (CA III) Carbonic anhydrase 4 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 7 Carbonic anhydrase 9 MDM2-MDMX Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Procollagen-proline,2-oxoglutarate-4-dioxygenase	50	4	0	0	0	0	0	1	α-CA inhibitor, 12 1,2-Dihydroxybenzene, XI 1,2-dihydroxybenzene CHEMBL280998 benzene-1,2-diol phenol derivative, 2
BDBM26189	Carbonic Anhydrase III Carbonic Anhydrase VA Carbonic Anhydrase VB Carbonic Anhydrase XIII Carbonic Anhydrase XIV Carbonic anhydrase Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 15 Carbonic anhydrase 2 Carbonic anhydrase 3 (CA III) Carbonic anhydrase 4 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 7 Carbonic anhydrase 9 Estradiol receptor beta (ERβ) Estrogen receptor Procollagen-proline,2-oxoglutarate-4-dioxygenase Prostaglandin G/H synthase (cyclooxygenase) Tyrosinase	24	7	1	0	0	0	0	1	α-CA inhibitor, 13 1,3-Dihydroxybenzene, XII 1,3-dihydroxybenzene CHEMBL24147 US9688816, 4 benzene-1,3-diol phenol derivative, 3
BDBM29643	Apoptosis regulator Bcl-2 BCL-W Bcl-2-related protein A1 D(1A) dopamine receptor D(2) dopamine receptor D(4) dopamine receptor Disabled homolog 2 Dopamine receptor Glucose 6-phosphate dehydrogenase (G6PD) Induced myeloid leukemia cell differentiation protein Mcl-1 Isoform Bcl-X(L) M18 aspartyl aminopeptidase MDM2-MDMX MPI protein Procathepsin L Runt-Related Transcription Factor 1 Isoform AML1C eukaryotic translation initiation factor 4 gamma, 1 isoform 4 glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase glutathione S-transferase poly(A) binding protein, cytoplasmic 1	6	17	0	6	0	0	0	0	(6aS)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol;hydrochloride (S)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol Apomorphine,(+) CHEMBL416288 MLS000028867 S(+)-10,11-DIHYDROXYAPORPHINE HYDROCHLORIDE SMR000058671 US10864248, Compound 1 cid_6852389
BDBM34849	DNA dC->dU-editing enzyme APOBEC-3G G protein signalling regulator 19 Glucose 6-phosphate dehydrogenase (G6PD) M18 aspartyl aminopeptidase MPI protein MSRA protein Mannose-6-phosphate isomerase Procathepsin L RGS7 Regulator of G-protein signaling 8 eukaryotic translation initiation factor 4 gamma, 1 isoform 4 glucose-6-phosphate dehydrogenase glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase hexokinase large T antigen neutrophil cytosolic factor 1 phosphomannomutase 2 probable DNA dC->dU-editing enzyme APOBEC-3A regulator of G-protein signaling 4 regulator of G-protein signalling 16	0	17	0	7	0	0	0	0	6-fluoranyl-2-(2-methylphenyl)-1,2-benzothiazol-3-one 6-fluoro-2-(2-methylphenyl)-1,2-benzisothiazol-3(2H)-one 6-fluoro-2-(2-methylphenyl)-1,2-benzothiazol-3-one 6-fluoro-2-(o-tolyl)-1,2-benzothiazol-3-one MLS000729299 SMR000307577 cid_1510379
BDBM40697	Alkaline phosphatase placental-like Alkaline phosphatase, tissue-nonspecific isozyme Alpi DNA dC->dU-editing enzyme APOBEC-3G Eph receptor A4 Estradiol receptor beta (ERβ) Glucose 6-phosphate dehydrogenase (G6PD) Induced myeloid leukemia cell differentiation protein Mcl-1 Intestinal alkaline phosphatase M18 aspartyl aminopeptidase POsterior Segregation family member (pos-1) Procathepsin L RecName: Full=Zinc finger protein mex-5 TCRAV4S1 Trypanosoma brucei RNA editing ligase 1 glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase lens epithelium-derived growth factor p75 nuclear receptor subfamily 4, group A, member 1 probable DNA dC->dU-editing enzyme APOBEC-3A serum albumin precursor	0	18	0	6	0	0	0	0	4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)-1,2-benzenediol 4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,2-diol 4-(2,3-dihydroimidazo[2,1-b]thiazol-6-yl)benzene-1,2-diol 4-(2,3-dihydroimidazo[2,1-b]thiazol-6-yl)pyrocatechol MLS000530540 SMR000135520 cid_877570
BDBM413450	1,3-beta-glucan synthase component GLS2 3-phosphoinositide dependent protein kinase-1 Aurora kinase A/Targeting protein for Xklp2 Aurora kinase B Cytochrome P450 4B1 DNA-PK/Ku70/Ku85 Dual specificity protein kinase TTK Macrophage colony stimulating factor receptor Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform Phosphoinositide 3-Kinase (PI3K), delta Serine-protein kinase ATM Serine/threonine-protein kinase ATR Tyrosine-protein kinase JAK1 Tyrosine-protein kinase JAK2 Tyrosine-protein kinase JAK3 p110α/p85α p110β/p85α	0	26	0	0	0	0	0	0	7-methyl-2-((7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino)-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one US10407446, Example 3
BDBM473171	Cytoplasmic tyrosine-protein kinase BMX Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase Dual specificity mitogen-activated protein kinase kinase 5 FLT3-ITD Proto-oncogene tyrosine-protein kinase Src Tyrosine-protein kinase BRK Tyrosine-protein kinase BTK Tyrosine-protein kinase Blk Tyrosine-protein kinase CSK Tyrosine-protein kinase FRK Tyrosine-protein kinase Fgr Tyrosine-protein kinase Fyn Tyrosine-protein kinase Fyn (Y531F) Tyrosine-protein kinase Fyn Isoform B Tyrosine-protein kinase HCK Tyrosine-protein kinase ITK/TSK Tyrosine-protein kinase Lck Tyrosine-protein kinase Lyn Tyrosine-protein kinase Yes flt3	0	28	2	0	0	0	0	0	(3R,4S)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-1,2-dithiolan-4-ol US10844038, Example 43 B.
BDBM50003359	5-hydroxytryptamine receptor 1B 5-hydroxytryptamine receptor 1D 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2B 5-hydroxytryptamine receptor 2C 5-hydroxytryptamine receptor 6 5-hydroxytryptamine receptor 7 Adrenergic alpha1B D(2) dopamine receptor D(3) dopamine receptor HTR4 Muscarinic acetylcholine receptor Muscarinic acetylcholine receptor M1 Muscarinic acetylcholine receptor M2 Muscarinic acetylcholine receptor M2 and M4 Muscarinic acetylcholine receptor M2 and M5 Muscarinic acetylcholine receptor M3 Muscarinic acetylcholine receptor M4 Muscarinic acetylcholine receptor M5 Serotonin (5-HT) receptor	40	24	0	23	0	0	0	0	5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2,3,6-tetrahydro-pyridine; oxalic acid 5-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1-methyl-1,2,3,6-tetrahydropyridine CHEMBL21536 CHEMBL73149 LY 246708 Xanomeline
BDBM50004327	5-hydroxytryptamine receptor 1A 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2B 5-hydroxytryptamine receptor 2C 5-hydroxytryptamine receptor 6 Adrenergic alpha1B Alpha-1A adrenergic receptor Alpha-2A adrenergic receptor Alpha-2C adrenergic receptor D(1A) dopamine receptor D(1B) dopamine receptor D(4) dopamine receptor Histamine H1 receptor Serotonin 1B/1D receptor Serotonin 2 (5-HT2) receptor Serotonin receptor 2a and 2b (5HT2A and 5HT2B) Serotonin receptor 2a and 2c (5HT2A and 5HT2C) Sodium-dependent dopamine transporter Sodium-dependent noradrenaline transporter Sodium-dependent serotonin transporter	30	0	0	0	0	0	0	0	(1-Phenethyl-piperidin-4-yl)-phenyl-methanol CHEMBL18972 Glemanserin MDL 11,939 MDL-11939
BDBM50007407	5-HT5 5-hydroxytryptamine receptor 1A 5-hydroxytryptamine receptor 1B 5-hydroxytryptamine receptor 1D 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2B 5-hydroxytryptamine receptor 5A 5-hydroxytryptamine receptor 6 5-hydroxytryptamine receptor 7 D(2) dopamine receptor HTR1D HTR6 Neutrophil cytosol factor 1 Serotonin (5-HT) receptor Serotonin 1 (5-HT1) receptor Serotonin 1B/1D receptor Serotonin 2 (5-HT2) receptor Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor Serotonin receptor 2a and 2b (5HT2A and 5HT2B) Sigma non-opioid intracellular receptor 1	45	2	1	2	0	0	0	0	1-NP 1-Naphthalen-1-yl-piperazine 4-Naphthalen-1-yl-piperazin-1-ium CHEMBL277120
BDBM50007674	3-beta-hydroxysteroid-delta(8),delta(7)-isomerase 5-hydroxytryptamine receptor 1A (5HT1A) Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor D(2) dopamine receptor Dopamine D1 receptor GluN1/GluN2B NMDA receptor Glutamate [NMDA] receptor subunit epsilon 1/zeta 1 Glutamate [NMDA] receptor subunit epsilon 2/zeta 1 Glutamate [NMDA] receptor subunit epsilon 3/zeta 1 Glutamate receptor ionotropic, NMDA 1 Glutamate receptor ionotropic, NMDA 2B Histamine H1 receptor Imidazoline I1 Mu-type opioid receptor Muscarinic acetylcholine receptor M3 NMDA receptor subunit 2C (GluN2C) Serotonin 2a (5-HT2a) receptor Sigma intracellular receptor 2 Sigma non-opioid intracellular receptor 1 Sigma-1 receptor	17	21	2	0	0	0	0	0	(+)-erythro 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-propyl]-phenol (-)-erythro 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-propyl]-phenol 4-[(1R,2S)-2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-propyl]-phenol 4-[(R)-2-(4-Benzyl-piperidin-1-yl)-1-(S)-hydroxy-propyl]-phenol 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-propyl]-phenol CHEMBL49623 Ifenprodil Ifenprodil,(+/-)
BDBM50015314	Aurora kinase A/Targeting protein for Xklp2 Aurora kinase B Cyclin-Dependent Kinase 1 (CDK1) Epidermal growth factor receptor Fibroblast growth factor receptor 1 Hepatocyte growth factor receptor Insulin-like growth factor I receptor Mast/stem cell growth factor receptor Kit 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 beta isoform Platelet-derived growth factor receptor beta Potassium voltage-gated channel subfamily H member 2 RAF proto-oncogene serine/threonine-protein kinase Serine/threonine-protein kinase B-raf Serine/threonine-protein kinase CHK2 Serine/threonine-protein kinase Chk1/2 Serine/threonine-protein kinase Nek2 Tyrosine-protein kinase receptor FLT3 Vascular endothelial growth factor receptor 2	0	20	0	0	0	0	0	0	CHEMBL3263869
BDBM50016017	5-hydroxytryptamine receptor 1A 5-hydroxytryptamine receptor 1B 5-hydroxytryptamine receptor 1D 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2B 5-hydroxytryptamine receptor 2C Adrenergic alpha1B 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 D(1A) dopamine receptor D(1B) dopamine receptor D(2) dopamine receptor D(3) dopamine receptor D(4) dopamine receptor Histamine H1 receptor	25	2	0	4	0	0	0	0	(5aR,9aR)-6-Propyl-5,5a,6,7,8,9,9a,10-octahydro-pyrido[2,3-g]quinazolin-2-ylamine (5aR,9aR)-6-propyl-5,5a,6,7,8,9,9a,10-octahydropyrido[2,3-g]quinazolin-2-amine 6-Propyl-5,5a,6,7,8,9,9a,10-octahydro-pyrido[2,3-g]quinazolin-2-ylamine(Quinelorane) CHEMBL155731 Quinelorane Quinerolane
BDBM50017347	Acidic fibroblast growth factor Bone morphogenetic protein 2 Bone morphogenetic protein 4 Bone morphogenetic protein 6 C-C motif chemokine 2 C-C motif chemokine 5 C-X-C motif chemokine 2 Chemokine CXCL12 Eotaxin Fibroblast growth factor 2 Fibroblast growth factor 4 Fibroblast growth factor 7 Heparanase Interferon gamma Platelet factor 4 Proheparin-binding EGF-like growth factor Protein Wnt-3a Secreted frizzled-related protein 1 Sonic hedgehog protein Vascular endothelial growth factor A	0	1	19	0	0	0	0	0	CHEMBL3288259
BDBM50017376	1,3-beta-glucan synthase component GLS2 Bile salt export pump Calcium channel Calcium channel (Type L) Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 Cytochrome P450 2J2 Cytochrome P450 3A Histamine H1 receptor Multidrug resistance-associated protein 4 Muscarinic acetylcholine receptor M1 Neurokinin 1 receptor P-glycoprotein (P-gp) P-glycoprotein 1 P-glycoprotein 1 and 3 (MDR1a/MDR1b) Potassium voltage-gated channel subfamily H member 2 Sodium channel protein type 5 subunit alpha Transcriptional activator protein luxR Voltage-dependent L-type calcium channel subunit alpha-1C Voltage-gated L-type calcium channel	4	51	2	0	0	0	0	0	(+/-)1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-ol 1-(4-tert-Butyl-phenyl)-4-[4-(hydroxy-diphenyl-methyl)-piperidin-1-yl]-butan-1-ol 1-(4-tert-Butyl-phenyl)-4-[4-(hydroxy-diphenyl-methyl)-piperidin-1-yl]-butan-1-ol(Terfenadine) 1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-ol CHEMBL17157 TERFENADINE teraenadine
BDBM50017550	5-hydroxytryptamine receptor 1A 5-hydroxytryptamine receptor 1B 5-hydroxytryptamine receptor 1D 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2B 5-hydroxytryptamine receptor 2C Adrenergic alpha1B 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 D(1A) dopamine receptor D(1B) dopamine receptor D(2) dopamine receptor D(3) dopamine receptor D(4) dopamine receptor Histamine H1 receptor	23	2	0	0	0	0	0	0	CHEMBL76399 N*6*-Propyl-4,5,6,7-tetrahydro-benzothiazole-2,6-diamine N*6*-Propyl-4,5,6,7-tetrahydro-benzothiazole-2,6-diamine (Pramipexole, PPX) Pramipexole
BDBM50017698	1,3-beta-glucan synthase component GLS2 3C-like proteinase 3C-like proteinase (3CL-PRO) Adrenergic Alpha Angiopoietin-1 receptor Bile salt export pump Calcium channel Calmodulin Carboxylesterase 2 Delta-type opioid receptor Kappa-type opioid receptor Menin/Histone-lysine N-methyltransferase MLL Mu-type opioid receptor Neuropeptide Y receptor type 1 Nociceptin receptor Opioid receptors; mu & delta P-glycoprotein 1 Replicase polyprotein 1ab Sodium channel protein type 5 subunit alpha Sodium channel protein type I I alpha subunit	6	15	2	7	0	0	0	0	4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N,N-dimethyl-2,2-diphenylbutanamide 4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-N,N-dimethyl-2,2-diphenyl-butyramide 4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-N,N-dimethyl-2,2-diphenyl-butyramide(loperamide) CHEMBL841 Imodium LOPERAMIDE LOPERAMIDE HYDROCHLORIDE cid_71420 med.21724, Compound 184
BDBM50033376	ALK tyrosine kinase receptor Cytochrome P450 1A Cytochrome P450 2C19 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 3A Epidermal growth factor receptor Fibroblast growth factor receptor 2 Hepatocyte growth factor receptor Platelet-derived growth factor receptor alpha Platelet-derived growth factor receptor beta Proto-oncogene tyrosine-protein kinase Src RAC-alpha serine/threonine-protein kinase Receptor protein-tyrosine kinase erbB-4 Receptor tyrosine-protein kinase erbB-2 Serine/threonine-protein kinase AKT2 Tyrosine-protein kinase ABL1 Tyrosine-protein kinase JAK2 Tyrosine-protein kinase SYK Tyrosine-protein kinase receptor FLT3	0	21	0	0	0	0	0	0	CHEMBL3357634
BDBM50040241	5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2C 5-hydroxytryptamine receptor 6 D(1A) dopamine receptor D(2) dopamine receptor D(3) dopamine receptor D(4) dopamine receptor Dopamine D1 receptor Dopamine D1B Dopamine receptor HTR6 Muscarinic acetylcholine receptor Muscarinic acetylcholine receptor M1 Muscarinic acetylcholine receptor M2 Muscarinic acetylcholine receptor M3 Muscarinic acetylcholine receptor M4 Muscarinic acetylcholine receptor M5 Serotonin (5-HT) receptor Serotonin 2 (5-HT2) receptor Serotonin receptor 2a and 2c (5HT2A and 5HT2C)	30	0	0	0	0	0	0	0	3-Fluoro-6-(4-methyl-piperazin-1-yl)-11H-dibenzo[b,e]azepine 3-Fluoro-6-(4-methyl-piperazin-1-yl)-11H-dibenzo[b,e]azepine(fluperlapine) CHEMBL63756 Fluperlapine
BDBM50045333	BRAF/CRAF Casein kinase I isoform delta Casein kinase I isoform epsilon Citron Rho-interacting kinase MAP kinase p38 Mitogen-activated protein kinase 10 Mitogen-activated protein kinase 11 Mitogen-activated protein kinase 14 Mitogen-activated protein kinase 9 Myotonin-protein kinase P2X purinoceptor 7 P2X purinoceptor 7 (P2X7) Serine/threonine protein kinase NLK Serine/threonine-protein kinase 36 Serine/threonine-protein kinase GAK Serine/threonine-protein kinase RIPK2 Streptavidin TRAF2- and NCK-interacting kinase Tyrosinase p38 MAP kinase alpha/beta	0	49	4	1	0	0	0	0	CHEBI:90705 SB-203580
BDBM50062351	72 kDa type IV collagenase A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4) A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5) ADAM12 Collagenase 3 Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10) Disintegrin and metalloproteinase domain-containing protein 17 Disintegrin and metalloproteinase domain-containing protein 9 (ADAM9) Interstitial collagenase Matrix metalloproteinase 12 Matrix metalloproteinase 15 Matrix metalloproteinase 16 Matrix metalloproteinase 17 Matrix metalloproteinase 26 Matrix metalloproteinase-12 (MMP12) Matrix metalloproteinase-14 (MMP14) Matrix metalloproteinase-7 (MMP7) Matrix metalloproteinase-9 Neutrophil collagenase Stromelysin-1	10	73	0	0	0	0	0	0	(R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-methylcarbamoyl-ethyl]-2-isobutyl-succinamide (R)-N*4*-Hydroxy-N*1*-[2-(1H-indol-3-yl)-1-methylcarbamoyl-ethyl]-2-isobutyl-succinamide (R)-N1-((S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl)-N4-hydroxy-2-isobutylsuccinamide 3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-TRP-METHYLAMIDE CHEMBL19611 Ilomastat US9487462, ilomastat
BDBM50071058	3C-like proteinase (3CL-PRO) Beta lactamase Beta-galactosidase C-C chemokine receptor type 6 (CCR6) Flavin-Dependent Monooxygenase Siderophore A (SidA) Heat shock factor protein 1 Hematopoietic protein-tyrosine phosphatase (HEPTP) Monoglyceride lipase (MGL) Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN Protein-tyrosine phosphatase Protein-tyrosine phosphatase 1B Protein-tyrosine phosphatase 1C Receptor-type tyrosine-protein phosphatase epsilon (PTPε) Regulator of G-protein signaling 17 Serine/threonine-protein kinase RIPK2 T-cell protein-tyrosine phosphatase Telomerase reverse transcriptase Toll-like receptor 9 Tyrosine-protein phosphatase non-receptor type 11 nuclear receptor subfamily 4, group A, member 1	1	26	6	2	0	0	0	0	(2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-picene-2-carboxylic acid CELASTROL CHEMBL301982 cid_4274774
BDBM50074922	17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3) Acid-sensing ion channel 1 Aldo-keto reductase family 1 member C1 Aldo-keto reductase family 1 member C2 Aldo-keto reductase family 1 member C4 (AK1C4) Amiloride-sensitive cation channel 3 Beta amyloid A4 protein Bile salt export pump COX-1 Cyclooxygenase Cyclooxygenase-1 (COX-1) Cyclooxygenase-2 (COX-2) Fatty-acid amide hydrolase 1 Fatty-acid amide hydrolase 1 (aa 30-579) Intestinal fatty acid-binding protein (hIFABP) Liver fatty acid binding protein (rat L-FABP) Prostaglandin E synthase/G/H synthase 2 Prostaglandin G/H synthase (cyclooxygenase) Serum albumin Solute carrier family 22 member 6	11	25	0	0	0	0	0	0	(+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid 2-(2-fluoro-[1,1'-biphenyl-4-yl])propanoic acid 2-(2-fluorobiphenyl-4-yl)propanoic acid 2-fluoro-alpha-methyl-(1,1'-biphenyl)-4-acetic acid 3-fluoro-4-phenylhydratropic acid Ansaid CHEMBL563 FLURBIPROFEN US9630914, Compound A
BDBM50087856	Dual specificity protein phosphatase (VHR) Dual specificity protein phosphatase 23 (VHZ) Dual specificity protein phosphatase CDC14A Hematopoietic protein-tyrosine phosphatase (HEPTP) Laforin Low molecular weight phosphotyrosine protein phosphatase Mitogen-activated protein kinase phosphatase 5 (MKP5) Nuclear proteasome inhibitor UBLCP1 Protein phosphatase 5 (PP5) Protein-tyrosine phosphatase 1B Protein-tyrosine phosphatase 1C Protein-tyrosine phosphatase pez Receptor-type tyrosine-protein phosphatase F (LAR) Receptor-type tyrosine-protein phosphatase epsilon (PTPε) Receptor-type tyrosine-protein phosphatase gamma Tyrosine-protein phosphatase non-receptor type 11 Tyrosine-protein phosphatase non-receptor type 2 Tyrosine-protein phosphatase non-receptor type 3 (PTPH1) carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1 tyrosine-protein phosphatase non-receptor type 5 isoform a	1	20	0	0	0	0	0	0	CHEMBL3426913
BDBM50096279	BRAF/CRAF Dual specificity mitogen-activated protein kinase kinase 5 Ephrin type-A receptor 2 Ephrin type-B receptor 4 Eukaryotic translation initiation factor 2-alpha kinase 4 Interleukin-1 receptor-associated kinase 1 MAP kinase p38 Mitogen-activated protein kinase kinase kinase 1 Mitogen-activated protein kinase kinase kinase kinase 5 Mixed lineage kinase 7 Protein cereblon/BRAF Proto-oncogene tyrosine-protein kinase Src RAF proto-oncogene serine/threonine-protein kinase RAF serine/threonine protein kinase Serine/threonine-protein kinase A-Raf Serine/threonine-protein kinase B-raf Tyrosine-protein kinase ABL1 Tyrosine-protein kinase CSK Tyrosine-protein kinase Fyn Vascular endothelial growth factor receptor 2	0	30	0	0	0	0	0	0	CHEMBL3577124
BDBM50105102	5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2C 5-hydroxytryptamine receptor 6 5-hydroxytryptamine receptor 7 Adenosine receptor A3 Adrenergic receptor alpha-1 D(1A) dopamine receptor D(1B) dopamine receptor D(2) dopamine receptor D(3) dopamine receptor Delta-type opioid receptor Histamine H1 receptor Histamine H2 Receptor Kappa-type opioid receptor Mu-type opioid receptor Neurokinin 1 receptor Neurokinin 2 receptor Sigma non-opioid intracellular receptor 1 Sodium-dependent dopamine transporter Voltage-gated L-type calcium channel	0	20	0	0	0	0	0	0	4-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperazine-1-carboxylic acid [2-(4-ethoxy-phenyl)-ethyl]-amide CHEMBL113956
BDBM50105327	Cereblon/Histone deacetylase 1 Cereblon/Histone deacetylase 2 Cereblon/Histone deacetylase 4 Cereblon/Histone deacetylase 6 Histone deacetylase 1 Histone deacetylase 10 Histone deacetylase 11 Histone deacetylase 2 Histone deacetylase 3 Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) Histone deacetylase 4 Histone deacetylase 5 Histone deacetylase 7 Histone deacetylase 8 Histone deacetylase 9 Leukotriene A4 hydrolase NAD-dependent deacetylase sirtuin 1 NAD-dependent deacetylase sirtuin 2 NAD-dependent deacetylase sirtuin 3 NAD-dependent protein deacetylase sirtuin-7 (SIRT7)	27	21	2	0	0	0	0	0	JNJ-26481585 QUISINOSTAT Quisinostat
BDBM50113851	5-HT3A Serotonin Receptor 5-hydroxytryptamine receptor 1A 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2B 5-hydroxytryptamine receptor 2C Amine oxidase (flavin-containing) A Amine oxidase [flavin-containing] B Cytochrome P450 2A6 Cytochrome P450 2B6 Cytochrome P450 2C19 D(1A) dopamine receptor D(2) dopamine receptor Lysine-specific histone demethylase 1A Lysine-specific histone demethylase 1B Lysyl oxidase homolog 2 Serotonin receptor 2a and 2c (5HT2A and 5HT2C) Sodium-dependent dopamine transporter Sodium-dependent noradrenaline transporter Sodium-dependent serotonin transporter Trypsin-1	12	32	0	2	0	0	0	0	(+/-)-Tranylcypromine 2-PCPA 2-Phenyl-cyclopropylamine 2-phenylcyclopropanamine CHEMBL313833 TRANYLCYPROMINE Tranylcypromine,(+) Tranylcypromine,(-) US8609708, 6 Tranyl- cypromine US8609708, 6 Tranylcypromine
BDBM50131440	5-HT1 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2C 5-hydroxytryptamine receptor 6 Alpha-1A adrenergic receptor Alpha-2A adrenergic receptor D(2) dopamine receptor D(3) dopamine receptor D(4) dopamine receptor Dopamine receptor HTR6 Histamine H1 receptor Muscarinic acetylcholine receptor M1 Muscarinic acetylcholine receptor M2 Muscarinic acetylcholine receptor M3 Muscarinic acetylcholine receptor M4 Muscarinic acetylcholine receptor M5 Potassium voltage-gated channel subfamily H member 2 Serotonin (5-HT) receptor Serotonin receptor 2a and 2c (5HT2A and 5HT2C)	32	5	0	0	0	0	0	0	10-(2-(1-methylpiperidin-2-yl)ethyl)-2-(methylsulfinyl)-10H-phenothiazine 2-Methanesulfinyl-10-[2-(1-methyl-piperidin-2-yl)-ethyl]-10H-phenothiazine CHEMBL1088 MESORIDAZINE NC-123 Serentil TPS-23
BDBM50132097	5-hydroxytryptamine receptor 1A 5-hydroxytryptamine receptor 1B 5-hydroxytryptamine receptor 1D 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2C 5-hydroxytryptamine receptor 5A 5-hydroxytryptamine receptor 6 5-hydroxytryptamine receptor 7 Adrenergic alpha1B Adrenergic receptor alpha-2 Alpha-1A adrenergic receptor Alpha-2A adrenergic receptor Alpha-2B adrenergic receptor Alpha-2C adrenergic receptor Beta-1 adrenergic receptor Beta-2 adrenergic receptor Imidazoline receptor 1 (I1R) Muscarinic acetylcholine receptor Serotonin receptor 2a and 2c (5HT2A and 5HT2C) Sodium-dependent serotonin transporter	28	0	0	0	0	0	0	0	7-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline CHEMBL6310
BDBM50134036	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) Aldo-keto reductase family member 1B10 (AKR1B10) Aldose reductase (AR) Axin-1/Glycogen synthase kinase-3 beta Beta-lactamase AmpC Bile salt export pump Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 Cyclooxygenase Cyclooxygenase-1 (COX-1) Cytochrome P450 2J2 Dihydrofolate reductase Malate dehydrogenase cytoplasmic Multidrug resistance-associated protein 4 Myeloperoxidase NACHT, LRR and PYD domains-containing protein 3 Transient receptor potential cation channel subfamily A member 1	9	19	0	4	0

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