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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
BDBM103302	0	17	4	0	0	0	0	0	Casein kinase II subunit alpha Dual specificity mitogen-activated protein kinase kinase 3 Dual specificity protein kinase CLK2 Dual specificity protein kinase TTK Dual specificty protein kinase CLK1 Haspin (465-798) MAP kinase ERK1 MAP kinase ERK2 Misshapen-like kinase 1 (MINK) Mitogen-activated protein kinase 1 Mitogen-activated protein kinase 10 Mitogen-activated protein kinase 3 Mitogen-activated protein kinase 9 Mitogen-activated protein kinase kinase kinase kinase 4 Serine/threonine-protein kinase 17A Serine/threonine-protein kinase Aurora-C Serine/threonine-protein kinase D1 c-Jun N-terminal kinase 1 truncation (JNK1) (1-363)	SCH772984 US8546404, 6
BDBM10850	9	6	10	0	0	0	0	0	Adenosine A1 receptor Adenosine receptor A1 Adenosine receptor A2 Adenosine receptor A2b Bile salt export pump Chitinase Chitinase Mutant (A217G) Chitinase Mutant (D175A) Chitinase Mutant (D246A) Chitinase Mutant (E177A) Chitinase Mutant (E322A) Chitinase Mutant (M243A) Chitinase Mutant (R301K) Chitinase Mutant (T138A) Chitinase Mutant (Y245F) Endochitinase B1 Phosphodiesterase (TcrPDEC) Phosphodiesterase 4 Tumor necrosis factor cAMP-specific 3',5'-cyclic phosphodiesterase 4A	1-(5-Oxohexyl)theobromine (pentoxifylline) 3,7-dimethyl-1-(5-oxohexyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione 3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydropurine-2,6-dione CHEMBL628 Pentoxifylline Pentoxil Pentoxyphylline
BDBM11625	25	0	0	0	0	0	0	0	Astrosclerin-3 Carbonic Anhydrase III Carbonic Anhydrase IV Carbonic Anhydrase VA Carbonic Anhydrase VB Carbonic Anhydrase XIV Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 13 (CA XIII) Carbonic anhydrase 15 Carbonic anhydrase 2 Carbonic anhydrase 4 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 7 Carbonic anhydrase 9	2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiadiazole-2,5-disulfonamide 5-{[(4-amino-3-chloro-5-fluorophenyl)sulfonyl]amino}-1,3,4-thiadiazole-2-sulfonamide CHEMBL71611 aminobenzolamide 18
BDBM13017	25	0	0	0	0	0	0	0	Adrenergic receptor alpha Adrenergic receptor alpha-2 Alpha-2A adrenergic receptor Phenylethanolamine N-methyltransferase	1,2,3,4-tetrahydroisoquinoline-7-sulfonamide CHEMBL26717 SKF 29661
BDBM14143	25	0	0	0	0	0	0	0	Coagulation factor IX Coagulation factor X Plasminogen Thrombin and coagulation factor X Tissue-type plasminogen activator Trypsin Trypsin-1 Urokinase-type plasminogen activator	2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE 2-(2-hydroxy-3-phenylphenyl)-1H-1,3-benzodiazole-5-carboximidamide APC-7806 CHEMBL327715
BDBM14145	25	0	0	0	0	0	0	0	Coagulation factor X Plasminogen Thrombin and coagulation factor X Tissue-type plasminogen activator Trypsin Trypsin-1 Urokinase (uPA) Mutant (S190A) Urokinase-type plasminogen activator	2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2-yl}-6-(2-methylpropoxy)benzen-1-olate APC-10656 CA-08
BDBM14148	25	0	0	0	0	0	0	0	Coagulation factor X Plasminogen Thrombin and coagulation factor X Tissue-type plasminogen activator Trypsin Trypsin-1 Urokinase (uPA) Mutant (S190A) Urokinase-type plasminogen activator	2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benzodiazol-2-yl}-6-(2-methylpropoxy)benzen-1-olate APC-10950 CA-10
BDBM17950	0	25	0	0	0	0	0	0	Cathepsin D Pepsin A Renin	(2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethylethyl)-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-2-(propan-2-yl)nonanamide ALISKIREN FUMARATE Aliskiren Aliskiren Hemifumarate CHEMBL1639 Rasilez TEKTURNA
BDBM191599	0	23	2	0	0	0	0	0	Homo sapiens lysine demethylase 2A (KDM2A) Lysine-specific demethylase 3A Lysine-specific demethylase 4A (KDM4A) Lysine-specific demethylase 4C Lysine-specific demethylase 5A Lysine-specific demethylase 5A (KDM5A(1-1090)-Flag) Lysine-specific demethylase 5A (KDM5A(1-588)ΔAP) Lysine-specific demethylase 5A (KDM5A(1-739)ΔAP(2C-2S)) Lysine-specific demethylase 5B Lysine-specific demethylase 5B (KDM5B(1-604)ΔAP) Lysine-specific demethylase 5B (KDM5B(1-755)ΔAP) Lysine-specific demethylase 5C Lysine-specific demethylase 5C (KDM5C(1-789)ΔAP) Lysine-specific demethylase 5D (KDM5D(1-760)ΔAP) Lysine-specific demethylase 5D (KDM5D) Lysine-specific demethylase 6A Lysine-specific demethylase 6B	KDOAM-21 ethyl 2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-oxoethyl)amino)methyl)isonicotinate (KDM5-C70)
BDBM20688	9	14	0	2	0	0	0	0	3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA) Bile Salt Export Pump, BSEP Bile salt export pump (BSEP) Canalicular multispecific organic anion transporter 1 HMG-CoA reductase Organic anion-transporting polypeptide 1D1 (Oatp1d1) Solute carrier family 22 member 11 Solute carrier family 22 member 6 Solute carrier family 22 member 7 Solute carrier family 22 member 8 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 Squalene monooxygenase	(3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid CHEMBL1144 Pravastatin
BDBM22893	12	11	2	0	0	0	0	0	Acetylcholinesterase Cytochrome P450 3A HRH3 Histamine H1 receptor Histamine H2 receptor Histamine H4 receptor Histamine receptor (H3) Imidazoline I1 Multidrug and toxin extrusion protein 1 P-glycoprotein (P-gp) P-glycoprotein 1 P-glycoprotein 1 and 3 (MDR1a/MDR1b) Potassium-transporting ATPase alpha chain 1/beta chain	CHEMBL512 Ranitidine ZANTAC dimethyl[(5-{[(2-{[(E)-1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}furan-2-yl)methyl]amine
BDBM27878	0	25	0	0	0	0	0	0	Collagenase Matrix Metalloproteinase-8 (MMP-8) Matrix metalloproteinase-1 (MMP1) Matrix metalloproteinase-12 (MMP12) Matrix metalloproteinase-14 (MMP14) Matrix metalloproteinase-7 (MMP7) Stromelysin-1	13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-triene-5-carboxamide MMP Inhibitor, 7 hexahydrobenzothienopyrimidine, 2
BDBM28798	3	2	0	20	0	0	0	0	Peroxisome proliferator-activated receptor Peroxisome proliferator-activated receptor alpha Peroxisome proliferator-activated receptor alpha (PPAR alpha) Peroxisome proliferator-activated receptor gamma	(2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)phenyl]ethoxy}phenyl)propanoic acid AZ 242 Galida tesaglitazar
BDBM31700	0	25	0	0	0	0	0	0	Bcl-2-like protein 1 Dual Specificity Protein Phosphatase 1 Dual specificity phosphatase Cdc25B Genome polyprotein Heat Shock 70kDa Protein 1 Hematopoietic protein-tyrosine phosphatase (HEPTP) Induced myeloid leukemia cell differentiation protein Mcl-1 MKP-3 core protein heat shock 70kDa protein 8 isoform 1	(5Z)-5-(5-bromo-2-methoxybenzylidene)-2-(2-furyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one 5-(5-bromo-2-methoxy-benzylidene)-2-(2-furyl)thiazolo[3,2-b][1,2,4]triazol-6-one 5-[(5-bromanyl-2-methoxy-phenyl)methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one 5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(2-furanyl)-6-thiazolo[3,2-b][1,2,4]triazolone 5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one MLS000043560 SMR000020576 cid_3236807
BDBM34163	0	25	0	0	0	0	0	0	Bfl-1 Cathepsin (B and K) Cathepsin L1 Cathepsin S Dual Specificity Protein Phosphatase 1 Dual specificity phosphatase Cdc25B MKP-3	3-Amino-7-benzyl-1-thioxo-5,6,7,8-tetrahydro-1H-thiopyrano[3,4-c]pyridine-4-carbonitrile 3-amino-7-(phenylmethyl)-1-sulfanylidene-6,8-dihydro-5H-thiopyrano[3,4-c]pyridine-4-carbonitrile 3-amino-7-benzyl-1-sulfanylidene-6,8-dihydro-5H-thiopyrano[3,4-c]pyridine-4-carbonitrile 3-amino-7-benzyl-1-thioxo-6,8-dihydro-5H-thiopyrano[3,4-c]pyridine-4-carbonitrile 3-azanyl-7-(phenylmethyl)-1-sulfanylidene-6,8-dihydro-5H-thiopyrano[3,4-c]pyridine-4-carbonitrile MLS000030905 SMR000011772 cid_787437
BDBM34905	0	18	2	5	0	0	0	0	Apurinic-apyrimidinic endonuclease 1 (APE-1) Delta-type opioid receptor Dual specificity protein phosphatase (VHR) HSP90 and hnRNPA2/B1 Hematopoietic protein-tyrosine phosphatase (HEPTP) Lipoamide Dehydrogenase (Lpd) MPI protein Phospholipase A2 Phospholipase C, gamma 1 Phospholipase C-beta-3 Pyruvate dehydrogenase (PDH) Ras-related C3 botulinum toxin substrate 1 Trypanosoma brucei RNA editing ligase 1 Tyrosine-protein kinase ABL1 Tyrosine-protein phosphatase non-receptor type 22 cell division cycle 42 (GTP binding protein, 25kDa) cysteine protease ATG4B isoform a exonuclease V (RecBCD complex), alpha chain tyrosyl-DNA phosphodiesterase 2	1,6-dimethyl-3-propyl-pyrimido[5,4-e][1,2,4]triazine-5,7-dione 1,6-dimethyl-3-propyl-pyrimido[5,4-e][1,2,4]triazine-5,7-quinone 1,6-dimethyl-3-propylpyrimido[5,4-e][1,2,4]triazine-5,7-dione MLS000718932 SMR000291200 US9073941, 617 cid_3164059
BDBM35431	0	21	0	4	0	0	0	0	Apoptotic peptidase activating factor 1 Caspase-9 DNA recombination protein RecA Dual Specificity Protein Phosphatase 1 Dual specificity phosphatase Cdc25B LANA MKP-3 Probable global transcription activator SNF2L2 tyrosyl-DNA phosphodiesterase 2	MLS000106874 SMR000111250 cid_774975
BDBM38361	3	12	0	10	0	0	0	0	G protein signalling regulator 19 Glucose 6-phosphate dehydrogenase (G6PD) MPI protein RGS7 Regulator of G-protein signaling 8 diphosphomevalonate decarboxylase glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase mevalonate kinase neutrophil cytosolic factor 1 phosphatase, orphan 1 phosphomannomutase 2 regulator of G-protein signaling 4 regulator of G-protein signalling 16	2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-benzothiazol-3-one 2-(4-pyrrolidinosulfonylphenyl)-1,2-benzothiazol-3-one 2-[4-(1-pyrrolidinylsulfonyl)phenyl]-1,2-benzothiazol-3-one MLS000055723 SMR000060746 cid_2325816
BDBM50000787	20	5	0	0	0	0	0	0	Delta-type opioid receptor Kappa-type opioid receptor Mu-type opioid receptor Neuronal acetylcholine receptor Neuronal acetylcholine receptor subunit alpha-7 Nociceptin receptor Nociceptin/mu opioid receptor Norepinephrine transporter Opioid receptors; mu & delta Sodium-dependent serotonin transporter	(1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-one NALTREXONE
BDBM50011851	23	0	2	0	0	0	0	0	Muscarinic acetylcholine receptor Muscarinic acetylcholine receptor M1 Muscarinic acetylcholine receptor M2 Muscarinic acetylcholine receptor M3 Muscarinic receptor M1 and M2	2,2-Diphenyl-propionic acid 6-methyl-6-aza-bicyclo[3.2.1]oct-3-yl ester 2,2-Diphenyl-propionic acid 6-methyl-6-aza-bicyclo[3.2.1]oct-3-yl ester (azaprophen) CHEMBL287868
BDBM50013388	15	10	0	0	0	0	0	0	Delta-type opioid receptor Kappa-type opioid receptor Mu opioid receptor Mu-type opioid receptor OPRD1 Opioid receptors; mu/kappa/delta Sigma non-opioid intracellular receptor 1 mu/kappa opioid receptor neuropeptides B/W receptor 1	6-Ethyl-3-(1-hydroxy-cyclopropylmethyl)-11,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol BREMAZOCINE(-) Bremazocine CHEMBL350384
BDBM50016703	3	22	0	0	0	0	0	0	Acidic alpha-glucosidase Alpha-glucosidase MAL62 Alpha-mannosidase 2C1 Beta-mannosidase Glucoamylase, intracellular sporulation-specific Glycogen Phosphorylase (PYGL) Glycogen debranching enzyme Glycogen phosphorylase, muscle form Lactase-glycosylceramidase Liver glycogen phosphorylase Maltase-glucoamylase Mannosidase 2 alpha 1 Mannosidase 2, alpha B1 Trehalase alpha-Glucosidase (α-Glucosidase)	2-Hydroxymethyl-pyrrolidine-3,4-diol BDBM50031485 CHEMBL305131 CHEMBL80254 Imino-D-Arabinitol
BDBM50017550	23	2	0	0	0	0	0	0	5-hydroxytryptamine receptor 1A (5-HT1A) 5-hydroxytryptamine receptor 1B 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 DRD2 Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor Dopamine D5 receptor Dopamine receptors; D2 & D4 Histamine H1 receptor Serotonin receptor (2b and 2c)	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
BDBM50017696	14	9	1	1	0	0	0	0	Adrenergic Alpha Alpha-1A adrenergic receptor Bile salt export pump Calmodulin Chloroquine resistance transporter D(2) dopamine receptor DOPAMINE DRD1 DRD2 Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor Histamine H1 receptor Histamine H4 receptor Pleiotropic ABC efflux transporter of multiple drugs Prion protein Serotonin (5-HT) receptor Sodium channel protein type I I alpha subunit Trypanothione reductase	(2-dimethylamino-2-methyl)ethyl-N-dibenzoparathiazine 10-(2-Dimethylaminopropyl)phenothiazine 10-[2-(dimethylamino)propyl]phenothiazine CHEMBL643 N,N,alpha-trimethyl-10H-phenothiazine-10-ethanamine N,N-dimethyl-1-(10H-phenothiazin-10-yl)propan-2-amine PROMETHAZINE proazamine
BDBM50029257	25	0	0	0	0	0	0	0	5-hydroxytryptamine receptor 1A (5-HT1A) 5-hydroxytryptamine receptor 1B Adrenergic alpha1B Adrenergic receptor alpha-1 Alpha adrenergic receptor 1A and 1B Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor Alpha-1A adrenergic receptor D(1A) dopamine receptor D(2) dopamine receptor D(3) dopamine receptor Dopamine D1B Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor Dopamine receptor Serotonin (5-HT) receptor Serotonin 1B/1D receptor Sigma non-opioid intracellular receptor 1	(3-((4-(2-isopropoxyphenyl)piperazin-1-yl)methyl)phenyl)(piperidin-1-yl)methanone CHEMBL10085 RWJ-377796 mazapertine {3-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-phenyl}-piperidin-1-yl-methanone
BDBM50029783	14	11	0	0	0	0	0	0	Kappa-type opioid receptor Nociceptin/mu opioid receptor Opioid receptors; mu & delta Sigma non-opioid intracellular receptor 1	5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]nonan-7-one CHEMBL38791
BDBM50033127	10	15	0	0	0	0	0	0	Dopamine Transporter (DAT) Monoamine transporters; serotonin & dopamine Norepinephrine Monoamine transporters Sodium-dependent noradrenaline transporter Sodium-dependent serotonin transporter	3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid phenyl ester CHEMBL14144
BDBM50034503	9	1	0	15	0	0	0	0	GRIA3 Metabotropic glutamate receptor Metabotropic glutamate receptor 1 Metabotropic glutamate receptor 2 Metabotropic glutamate receptor 3 Metabotropic glutamate receptor 3 (mGlu3) Metabotropic glutamate receptor 4 (mGlu4) Metabotropic glutamate receptor 4 (mGluR4) Metabotropic glutamate receptor 5 Metabotropic glutamate receptor 6 (mGlu6) Metabotropic glutamate receptor 7 (mGlu7) Metabotropic glutamate receptor 8 (mGlu8)	(1R,2R)-3-((S)-Amino-carboxy-methyl)-cyclopropane-1,2-dicarboxylic acid (1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid (2S,2'R,3'R)-2-(2',3')-dicarboxycyclopropylglycine 3-(Amino-carboxy-methyl)-cyclopropane-1,2-dicarboxylic acid CHEMBL284193 DCG-IV
BDBM50037996	18	6	0	1	0	0	0	0	Coagulation factor X Coagulation factor X/antithrombin III Plasminogen Thrombin Thrombin and coagulation factor X Trypsin Trypsin II Trypsin-1	1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-D-phenylalanyl]piperidine CHEMBL51173 N-[(R)-1-(4-Carbamimidoyl-benzyl)-2-oxo-2-piperidin-1-yl-ethyl]-2-(naphthalene-2-sulfonylamino)-acetamide N-[1-(4-Carbamimidoyl-benzyl)-2-(3,4-dihydro-2H-pyridin-1-yl)-2-oxo-ethyl]-2-(naphthalene-2-sulfonylamino)-acetamide N-[1-(4-Carbamimidoyl-benzyl)-2-oxo-2-piperidin-1-yl-ethyl]-2-(naphthalene-2-sulfonylamino)-acetamide N-[1-(4-Carbamimidoyl-benzyl)-2-oxo-2-piperidin-1-yl-ethyl]-2-(naphthalene-2-sulfonylamino)-acetamide(NAPAP)
BDBM50043416	0	25	0	0	0	0	0	0	3-phosphoinositide dependent protein kinase-1 Cyclin-dependent kinase 1 Cyclin-dependent kinase 2 Glycogen synthase kinase-3 beta Interleukin-1 receptor-associated kinase 4 LIM domain kinase 1 LIM domain kinase 2 Mitogen-activated protein kinase 1 Mitogen-activated protein kinase 2 Mitogen-activated protein kinase kinase kinase kinase 4 Mitogen-activated protein kinase kinase kinase kinase 5 Protein kinase C alpha type Proto-oncogene tyrosine-protein kinase Src RAF proto-oncogene serine/threonine-protein kinase Rho-associated protein kinase 2 SRC Serine/threonine-protein kinase 4 (STK4) Serine/threonine-protein kinase Chk2 Serine/threonine-protein kinase MST2 Tyrosine-protein kinase ABL1 Tyrosine-protein kinase JAK2 Tyrosine-protein kinase JAK3 Tyrosine-protein kinase Lck Tyrosine-protein kinase SYK Vascular endothelial growth factor receptor 1	CHEMBL3355482
BDBM50046732	8	17	0	0	0	0	0	0	Dopamine Transporter (DAT) Monoamine transporters; Norepininephrine & dopamine Monoamine transporters; serotonin & dopamine Norepinephrine Monoamine transporters Sodium-dependent serotonin transporter	(R)-3-(4-Chloro-phenyl)-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester 3-(4-Chloro-phenyl)-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester 3-(4-Fluoro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester CHEMBL81525
BDBM50051901	0	25	0	0	0	0	0	0	Acyl Cholesterol Acyltransferase 1 (ACAT-1) Acyl coenzyme A:cholesterol acyltransferase 1 Acyl-CoA:cholesterol acyltransferase Sterol O-acyltransferase 1 Sterol O-acyltransferase, Soat	1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-pentyl]-3,5-dimethyl-1H-pyrazole CHEMBL33780
BDBM50062614	10	15	0	0	0	0	0	0	Adrenergic Alpha Bile salt export pump CHRM4 CHRM5 Cytochrome P450 1A Cytochrome P450 2C19 Cytochrome P450 2C8 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 3A Histamine H1 receptor Multidrug and toxin extrusion protein 1 Multidrug and toxin extrusion protein 2 Muscarinic acetylcholine receptor M1 Muscarinic acetylcholine receptor M2 Muscarinic acetylcholine receptor M3 Muscarinic acetylcholine receptor M4 Potassium voltage-gated channel subfamily H member 2 Solute carrier family 22 member 2	CHEMBL900 Dimethyl-[2-(phenyl-o-tolyl-methoxy)-ethyl]-amine Disipal Invagesic N,N-dimethyl-2-(phenyl(o-tolyl)methoxy)ethanamine Norflex Norgesic ORPHENADRINE Orphengesic
BDBM50072394	7	6	0	12	0	0	0	0	Thyrotropin-releasing hormone receptor Thyrotropin-releasing hormone receptor 2	1-[3-(1H-4-imidazolyl)-2-(5-oxotetrahydro-1H-2-pyrrolylcarboxamido)propanoyl]tetrahydro-1H-2-pyrrolecarboxamide A-38579 ABBOTT-38579 PROTIRELIN
BDBM50076185	0	12	13	0	0	0	0	0	Interleukin-1 receptor-associated kinase 1 Mitogen-activated protein kinase kinase kinase 2 Mitotic checkpoint serine/threonine-protein kinase BUB1 Potassium voltage-gated channel subfamily H member 2 Proto-oncogene tyrosine-protein kinase ROS Serine/threonine-protein kinase 2 Serine/threonine-protein kinase PAK 4 Serine/threonine-protein kinase PAK6 Serine/threonine-protein kinase PAK7 Tyrosine-protein kinase JAK2 Tyrosine-protein kinase Mer Tyrosine-protein kinase SYK Tyrosine-protein kinase ZAP-70 Tyrosine-protein kinase receptor UFO	CHEMBL3416026 US9290481, 1.1
BDBM50085910	12	9	0	4	0	0	0	0	PTGER3 PTGFR Prostaglandin D Synthase 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 Prostanoid DP receptor Prostanoid IP receptor Prostanoid TP receptor	(Z)-7-{(1R,2R,3R,5S)-2-[(E)-(R)-4-(3-Chloro-phenoxy)-3-hydroxy-but-1-enyl]-3,5-dihydroxy-cyclopentyl}-hept-5-enoic acid 7-{2-[4-(3-Chloro-phenoxy)-3-hydroxy-but-1-enyl]-3,5-dihydroxy-cyclopentyl}-hept-5-enoic acid CHEMBL37853 CLOPROSTENOL
BDBM50087267	0	23	0	2	0	0	0	0	P2X purinoceptor P2X purinoceptor 4 P2X purinoceptor 7 P2X purinoceptor 7 (P2X7) P2X7 purinoceptor	(1-(N,O-bis(1,5-isoquinolinesulfonyl)-N-methyl-L-tyrosyl)-4phenylpiperazine) (S)-4-(2-(N-methylisoquinoline-5-sulfonamido)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl)phenyl isoquinoline-5-sulfonate 1-(N,O-bis(1,5-isoquinolinesulfonyl)-N-methyl-L-tyrosyl)-4-phenylpiperazine CHEMBL28324 Isoquinoline-5-sulfonic acid 4-[(S)-2-[(isoquinoline-5-sulfonyl)-methyl-amino]-3-oxo-3-(4-phenyl-piperazin-1-yl)-propyl]-phenyl ester KN-62 [(1-[N,O-bis(5-isoquinolinesulphonyl)-N-methyl-Ltyrosyl]-4-phenylpiperazine)
BDBM50092645	0	13	0	12	0	0	0	0	1,3-beta-glucan synthase component GLS2 Adrenergic receptor beta Beta-1 adrenergic receptor Beta-2 adrenergic receptor and beta-3 adrenergic receptor Beta-3 adrenergic receptor Calcium channel (Type L) Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 3A Sodium-dependent serotonin transporter	(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-4-(4-(4-(trifluoromethyl)phenyl)thiazol-2-yl)benzenesulfonamide CHEMBL111201 L-796568 N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-[4-(4-trifluoromethyl-phenyl)-thiazol-2-yl]-benzenesulfonamide N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-[3-(4-trifluoromethyl-phenyl)-thiazol-2-yl]-benzenesulfonamide N-{4-[2-(2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-[4-(4-trifluoromethyl-phenyl)-thiazol-2-yl]-benzenesulfonamide
BDBM50098305	0	6	19	0	0	0	0	0	ATPase family AAA domain-containing protein 2 Bromodomain adjacent to zinc finger domain protein 2A Bromodomain adjacent to zinc finger domain protein 2B Bromodomain testis-specific protein Bromodomain-containing protein 2 Bromodomain-containing protein 3 Bromodomain-containing protein 4 Bromodomain-containing protein 7 Bromodomain-containing protein 8 Bromodomain-containing protein 9 Histone acetyltransferase KAT2A Histone acetyltransferase PCAF Nucleosome-remodeling factor subunit BPTF Peregrin Protein polybromo-1 Transcription initiation factor TFIID subunit 1 Tyrosine-protein kinase BAZ1B	CHEMBL3590405
BDBM50101817	2	22	0	1	0	0	0	0	Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor Bile salt export pump Bile salt export pump (BSEP) Calcium channel (Type L) Cytochrome P450 1A Cytochrome P450 2C19 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 2J2 Cytochrome P450 3A Myosin light chain kinase, smooth muscle Potassium channel subfamily K member 2 Sodium channel protein type I I alpha subunit Twik-RElated Potassium (K+) channel 1 (TREK1) Voltage-dependent L-type calcium channel subunit alpha-1C Voltage-dependent L-type calcium channel subunit alpha-1S Voltage-gated potassium channel subfamily A member 1/beta-1	Adalat Adalat Cc Afeditab Cr BAY-A-1040 CHEBI:7565 NIFEDIPINE Nifedipine Procardia Procardia Xl
BDBM50112086	11	14	0	0	0	0	0	0	Coagulation factor X Hepsin Multidrug and toxin extrusion protein 1 Multidrug and toxin extrusion protein 2 Plasminogen Ribosyldihydronicotinamide dehydrogenase [quinone] Solute carrier family 22 member 2 Thrombin and coagulation factor X Tissue-type plasminogen activator Trypsin II Vitamin K-dependent protein C	3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}-pyridin-2-yl-amino)-propionic acid CHEMBL48361 DABIGATRAN
BDBM50127138	0	22	3	0	0	0

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