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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
BDBM10305	13	20	0	0	0	0	0	0	Caspase-1 Caspase-2 Caspase-3 Caspase-4 Caspase-6 Caspase-7 Caspase-8 Caspase-9	(S)-5-[1-(2-Methoxymethyl)pyrrolidinylsulfonyl]isatin 5-{[(2S)-2-(methoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione CHEMBL60190 Isatin Sulfonamide 16
BDBM139539	0	33	0	0	0	0	0	0	CaM kinase II Casein kinase I delta/epsilon Cyclin-dependent kinase 6 Fibroblast growth factor receptor 1 Fibroblast growth factor receptor 3 Macrophage-stimulating protein receptor Mast/stem cell growth factor receptor Kit Protein kinase C (PKC) Proto-oncogene tyrosine-protein kinase Src Ribosomal protein S6 kinase alpha 1 Serine/threonine-protein kinase Nek1 Serine/threonine-protein kinase PLK1 Serine/threonine-protein kinase PLK2 Serine/threonine-protein kinase WNK2 Serine/threonine-protein kinase pim-3 Tyrosine-protein kinase ABL1 Tyrosine-protein kinase ABL1(E255K) Tyrosine-protein kinase Blk Tyrosine-protein kinase JAK1 Tyrosine-protein kinase JAK2 Tyrosine-protein kinase Lck Tyrosine-protein kinase Lyn Tyrosine-protein kinase ZAP-70 Tyrosine-protein kinase receptor FLT3 Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)	US8889696, 39
BDBM149404	2	29	1	1	0	0	0	0	ALK tyrosine kinase receptor Epidermal growth factor receptor Epidermal growth factor receptor (T790M) Epidermal growth factor receptor(L858R) Epidermal growth factor receptor(L858R, T790M)	AVL-301 CHEMBL3545308 CNX-419 CO-1686 Rociletinib Tube721 US10167264, Compound CO-1686 US8975249, I-4 US9783524, CO-1686
BDBM1944	0	33	0	0	0	0	0	0	Alpha-chymotrypsin Beta-lactamase AmpC Cruzipain HIV-1 Reverse Transcriptase HIV-1 Reverse Transcriptase Mutant (K103N) HIV-1 Reverse Transcriptase Mutant (P236L) HIV-1 Reverse Transcriptase Mutant (Y181C) Human immunodeficiency virus type 1 reverse transcriptase Malate dehydrogenase cytoplasmic	BHAP deriv. CHEMBL593 DELAVIRDINE MESYLATE Delavirdine N-[2-({4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl}carbonyl)-1H-indol-5-yl]methanesulfonamide Rescriptor U-90152S
BDBM22872	27	6	0	0	0	0	0	0	5-Hydroxytryptamine receptor 6 (5-HT6) 5-hydroxytryptamine receptor 2C ADRA1B Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor Alpha-1D adrenergic receptor Cerebral cortex alpha adrenergic receptor D(2) dopamine receptor D(3) dopamine receptor DOPAMINE Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor Dopamine receptor Dopamine receptors; D2 & D4 HTR6 HTR7 Histamine H1 receptor Histamine H4 receptor Serotonin (5-HT) receptor Serotonin 2 (5-HT2) receptor TRAR1 ubiquitin-conjugating enzyme E2 N	1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine;maleate 1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine 1-{6-chloro-2-thiatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-yl}-4-methylpiperazine CHEMBL64249 CLOROTEPINE (+) CLOROTEPINE(-) Clothepin OCTOCLOTHEPIN,(+) OCTOCLOTHEPIN,(-) Octoclothepin Octoclothepine
BDBM24778	7	26	0	0	0	0	0	0	Aldehyde oxidase Aldehyde oxidase (AO) Amine oxidase [flavin-containing] A Amine oxidase [flavin-containing] B Cdc25C DNA gyrase Dual specificity phosphatase Cdc25B Dual specificity protein phosphatase 1 Glutathione reductase (GR) Indoleamine 2,3-dioxygenase 1 MKP-3 Monoamine oxidase B (MAO-B) Protein-glutamine gamma-glutamyltransferase 2 (TG2) Trypanothione reductase Ubiquitin C-terminal Hydrolase L3 (UCH-L3) Ubiquitin carboxyl-terminal hydrolase isozyme L1 Ubiquitin carboxyl-terminal hydrolase isozyme L1 (UCH-L1) Ubiquitin carboxyl-terminal hydrolase isozyme L3 (UCH-L3) perilipin-1 perilipin-5	2-methyl-1,4-dihydronaphthalene-1,4-dione 2-methyl-1,4-naphthoquinone, 5 CHEMBL590 Menadione Menadione (5d) Menadione (Vitamin K3) Menadione, 9 Vitamin K3 cid_4055
BDBM25115	4	28	1	0	0	0	0	0	Aurora kinase B Discoidin domain-containing receptor 2 Epidermal growth factor receptor Fibroblast growth factor receptor 1 Fibroblast growth factor receptor 2 Fibroblast growth factor receptor 3 Fibroblast growth factor receptor 4 Focal adhesion kinase 1/vascular endothelial growth factor receptor 3 Glycogen Synthase Kinase 3 (GSK3) Glycogen synthase kinase-3 beta Insulin receptor Platelet-derived growth factor receptor Platelet-derived growth factor receptor beta Polo-Like Kinase 3 Polo-Like Kinase 4 Proto-oncogene tyrosine-protein kinase receptor Ret SRC Serine/threonine-protein kinase PLK1 Serine/threonine-protein kinase PLK2 Tyrosine-protein kinase receptor FLT3 Vascular endothelial growth factor A Vascular endothelial growth factor receptor 1 Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)	3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-({[4-(pyrrolidin-1-yl)butyl]carbamoyl}amino)-1,2-thiazole-4-carboxamide CHEMBL253969 CP 547632 CP547632, 24 US9446026, 1
BDBM26189	24	7	1	0	0	0	0	0	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	α-CA inhibitor, 13 1,3-Dihydroxybenzene, XII 1,3-dihydroxybenzene CHEMBL24147 US9688816, 4 benzene-1,3-diol phenol derivative, 3
BDBM26190	22	10	0	0	0	0	0	0	Acetylcholinesterase 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 4 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 7 Carbonic anhydrase 9 Procollagen-proline,2-oxoglutarate-4-dioxygenase Tyrosinase	1,4-Dihydroxybenzene, XIII 1,4-dihydroxybenzene CHEMBL537 Hydroquinone (9) Hydroquinone, HQ benzene-1,4-diol phenol derivative, 4
BDBM317021	0	33	0	0	0	0	0	0	Cytochrome P450 1A2 Cytochrome P450 2C19 Cytochrome P450 2C9 Cytochrome P450 2D6 Cytochrome P450 3A Epidermal growth factor receptor(L858R, T790M) RAF proto-oncogene serine/threonine-protein kinase (RAF-1) bRAF serine/threonine protein kinase	US9617267, Compound P-2009 US9617267, Compound P-2010 US9617267, Compound P-2011 US9617267, Compound P-2014 US9617267, Compound P-2016
BDBM35909	9	23	0	1	0	0	0	0	Androgen Receptor Androgen receptor LANA Progesterone receptor	2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-phenyl)-propionamide 2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-phenyl)-propionamide (hydroxy flutamide) 2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-phenyl)-propionamide(Hydroxyflutamide) 2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide CHEMBL491 Eulexin HYDROXYFLUTAMIDE Hydroxyflutamide OH-flutamide Sch 16423 US9682960, OH-FLU cid_91649 hydroxy-flutamide
BDBM46667	1	20	0	12	0	0	0	0	Beta lactamase DNA dC->dU-editing enzyme APOBEC-3G G protein signalling regulator 19 Glucose 6-phosphate dehydrogenase (G6PD) MPI protein MSRA protein Mannose-6-phosphate isomerase NS3 RGS7 Regulator of G-protein signaling 8 Serine/threonine-protein kinase RIPK2 eukaryotic translation initiation factor 4 gamma, 1 isoform 4 glucose-6-phosphate dehydrogenase glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase hexokinase phosphatase, orphan 1 phosphomannomutase 2 probable DNA dC->dU-editing enzyme APOBEC-3A regulator of G-protein signaling 4 regulator of G-protein signalling 16 streptokinase A precursor	2-phenyl-1,2-benzothiazol-3-one 2-phenyl-1,2-benzothiazol-3-one (1) MLS-0107957.0001 cid_164981
BDBM50004058	0	28	4	1	0	0	0	0	ITGA5/ITGB1 ITGAV/ITGB3 Integrin alpha-2/beta-3 Integrin alpha-IIb/beta-3	(2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid N-(Butylsulfonyl)-O-(4-(4-piperidyl)butyl)-L-tyrosine N-(butylsulfonyl)-O-(4-piperidin-4-ylbutyl)-L-tyrosine tirofiban
BDBM50009004	0	32	0	1	0	0	0	0	12-Lipoxygenase (12-LOX) Arachidonate 15-lipoxygenase Arachidonate 5-lipoxygenase Cyclooxygenase Phospholipase A2, membrane associated	(phenidone)1-Phenyl-pyrazolidin-3-one 1-Phenyl-pyrazolidin-3-one 1-Phenyl-pyrazolidin-3-one (Phenidone) 1-Phenyl-pyrazolidin-3-one(phenidone) 1-phenylpyrazolidin-3-one CHEMBL7660 PHENIDONE
BDBM50026603	16	6	0	11	0	0	0	0	Delta-type opioid receptor Kappa-type opioid receptor Mu-type opioid receptor Nociceptin receptor Nociceptin/mu opioid receptor	BUPRENORPHINE Buprenorphine CHEBI:3216
BDBM50029050	18	3	2	10	0	0	0	0	Adrenaline alpha1 Adrenaline alpha2 Adrenergic receptor alpha Adrenergic receptor alpha-2 Adrenergic receptor beta Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor Alpha-1A adrenergic receptor Alpha-2A adrenergic receptor Beta-1 adrenergic receptor Beta-2 adrenergic receptor Beta-2 adrenergic receptor and beta-3 adrenergic receptor Beta-3 adrenergic receptor D(1A) dopamine receptor D(2) dopamine receptor Nociceptin/mu opioid receptor	(-)-(R)-epinephrine (-)-3,4-dihydroxy-alpha-((methylamino)methyl)benzyl alcohol (-)-adrenaline (R)-(-)-adrenaline (R)-adrenaline 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol Adrenalin CHEMBL679 EPINEPHRINE adrenaline levoepinephrine
BDBM50032667	6	0	9	18	0	0	0	0	Retinoic acid receptor RXR-alpha Retinoid X receptor beta Retinoid X receptor gamma Retinoid X receptor gamma/retinoic acid receptor alpha Retinoid receptor	4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalene-2-carbonyl)-benzoic acid 4-[(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)carbonyl]benzoic acid CHEMBL98172
BDBM50049391	17	14	2	0	0	0	0	0	3-oxoacyl-acyl-carrier protein reductase Acetylcholinesterase Adenosine Receptors A2a (A2a) Adenosine receptor A1 Adenosine receptor A2 Adenosine receptor A3 Amyloid β-protein (Aβ42) Aromatase (CYP19) Aurora kinase B Beta amyloid A4 protein Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 4 Carbonic anhydrase 7 Cholinesterase Cytochrome P450 1A Cytochrome P450 1A1 Cytochrome P450 1B1 DNA Gyrase Dipeptidyl peptidase III P-glycoprotein (P-gp) P-glycoprotein 1 TPA: Essential protein of the mitochondrial intermembrane space Tyrosinase Tyrosine-protein kinase Lck Tyrosine-protein kinase receptor FLT3 Xanthine dehydrogenase/oxidase	3,5,7-Trihydroxyflavone 3,5,7-triOH-flavone 3,5,7-trihydroxy-2-phenyl-4H-benzopyran-4-one 3,5,7-trihydroxy-2-phenyl-4H-chromen-4-one CHEMBL309490 Galangin Galangin (15) Galangin (Gal) cid_5281616 norizalpinin
BDBM50074922	10	23	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) Anandamide amidohydrolase Beta amyloid A4 protein Bile salt export pump COX-1 Cyclooxygenase Cyclooxygenase-1 (COX-1) Cyclooxygenase-2 (COX-2) Fatty-acid amide hydrolase 1 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) Solute carrier family 22 member 6	(+-)-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
BDBM50076680	0	33	0	0	0	0	0	0	Beta-lactamase Beta-lactamase (TEM-1) Beta-lactamase AmpC Beta-lactamase L1 Beta-lactamase OXA-2 Beta-lactamase pse-1 Beta-lactamase type II Class D β-lactamase (OXA-1) Penicillin-binding protein SHV-1 beta-lactamase	CHEMBL6461 Ro-48-1220 Sodium; (2S,3R,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate Sodium; (2S,3S,5R)-3-((Z)-2-cyano-vinyl)-3-methyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate
BDBM50081195	15	18	0	0	0	0	0	0	Cytochrome P450 1A Cytochrome P450 2C19 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 3A NK-3 receptor Neuromedin-K receptor Potassium voltage-gated channel subfamily H member 2 Substance-K receptor Substance-P receptor Transcriptional regulator ERG	CHEMBL3422010 US10065961, Compound 1 US9475814, 1
BDBM50085536	16	17	0	0	0	0	0	0	ADAM17 Alpha-(1,3)-fucosyltransferase IV Alpha-(1,3)-fucosyltransferase VII Alpha-(2,3)-(N)-sialyltransferase Angiotensin-converting enzyme 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 2 Carbonic anhydrase 4 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 7 Carbonic anhydrase 9 Collagenase Human immunodeficiency virus type 1 reverse transcriptase Leukocyte adhesion molecule-1 Matrix metalloproteinase-7 (MMP7) Nitric Oxide Synthase, inducible P-selectin/P-selectin glycoprotein ligand 1 Pancreatic lipase Plasminogen activator inhibitor-1 Procollagen-proline,2-oxoglutarate-4-dioxygenase Selectin E Squalene monooxygenase	3,4,5-Trihydroxybenzoate, X 3,4,5-trihydroxybenzoic acid CHEMBL288114 Gallic Acid, F gallic acid
BDBM50124566	14	19	0	0	0	0	0	0	Dopamine Transporter (DAT) Monoamine transporters; serotonin & dopamine Norepinephrine Monoamine transporters Serotonin (5-HT) receptor Sodium-dependent noradrenaline transporter Sodium-dependent serotonin transporter Transporter	(R)-2-((R)-(2-ethoxyphenoxy)(phenyl)methyl)morpholine (S)-2-((S)-(2-ethoxyphenoxy)(phenyl)methyl)morpholine 2-((2-ethoxyphenoxy)(phenyl)methyl)morpholine 2-[(2-Ethoxy-phenoxy)-phenyl-methyl]-morpholine 2-[2-ethoxyphenoxy(phenyl)methyl]-1,4-oxazinane CHEMBL14370 REBOXETINE rac-syn-2-((2-ethoxyphenoxy)(phenyl)methyl)morpholine
BDBM50130701	33	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	CHEMBL114503 lambda~4~-selenium oxide; disodium sodium selenate sodium selenate(VI)
BDBM50161331	1	32	0	0	0	0	0	0	ADAM17 Collagenase Matrix Metalloproteinase-8 (MMP-8) Matrix metalloproteinase 16 Matrix metalloproteinase-1 (MMP1) Matrix metalloproteinase-14 (MMP14) Matrix metalloproteinase-7 (MMP7) Stromelysin-1	2-[(Biphenyl-4-sulfonyl)-isopropoxy-amino]-N-hydroxy-acetamide CHEMBL181244 N-hydroxy-2-(N-isopropoxybiphenyl-4-ylsulfonamido)acetamide
BDBM50161746	14	19	0	0	0	0	0	0	Bile salt export pump Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 3A G protein-coupled receptor 44 Prostanoid DP receptor Prostanoid IP receptor Prostanoid TP receptor	(R)-3-(3-(4-fluorophenylsulfonamido)-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid 3-[(R)-3-(4-Fluoro-benzenesulfonylamino)-1,2,3,4-tetrahydro-carbazol-9-yl]-propionic acid CHEMBL361812 RAMATROBAN
BDBM50163865	0	0	23	0	5	5	0	0	Carbonic anhydrase Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 13 (CA XIII) Carbonic anhydrase 2 Carbonic anhydrase 7 Carbonic anhydrase 9 Carbonic anhydrases; II & IX	CHEMBL3799577 carbonic anhydrase (CA) inhibitors, benzenesulphonamide ligand, 14
BDBM50178769	0	33	0	0	0	0	0	0	Lymphocyte differentiation antigen CD38 NAD-Dependent Deacetylase Sirtuin-1 NAD-dependent deacetylase sirtuin 1 NAD-dependent deacetylase sirtuin 2 NAD-dependent protein deacetylase sirtuin-3 (SIRT3)	(+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide CHEMBL420311
BDBM50225074	3	30	0	0	0	0	0	0	Cytochrome P450 1A Cytochrome P450 2A6 Cytochrome P450 2B6 Cytochrome P450 2C19 Cytochrome P450 2C8 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 2E1 Cytochrome P450 3A Dipeptidyl peptidase 2 (DPP II) Dipeptidyl peptidase 4 Dipeptidyl peptidase 9 Dipeptidyl peptidase VIII	(1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1-yl)-acetyl]-2-aza-bicyclo[3.1.0]hexane-3-carbonitrile (1S,6S)-2-(2-adamantan-1-yl-2-amino-acetyl)-2-aza-bicyclo[3.1.0]hexane-3-carbonitrile BMS-477118 CHEMBL385517 SAXAGLIPTIN
BDBM50228403	0	33	0	0	0	0	0	0	Dipeptidyl peptidase 2 (DPP II) Dipeptidyl peptidase 4 Dipeptidyl peptidase 9 Dipeptidyl peptidase VIII Dipeptidyl peptidase-IV (DDP-4) Fibroblast activation protein (FAP) Fibroblast activation protein alpha Lysosomal phospholipase A1 Muscarinic acetylcholine receptor M1 POU domain, class 2, transcription factor 1 POU domain, class 2, transcription factor 2 Potassium voltage-gated channel subfamily H member 2 Prolyl endopeptidase Solute carrier family 22 member 8 Solute carrier organic anion transporter family member 1B1 (OATP1B1)	(R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-1H-purine-2,6(3H,7H)-dione 8-[(3R)-3-Aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione CHEMBL237500 LINAGLIPTIN US10202383, Example 2(142) US9255098, Linagliptin US9321791, 2(142) US9556175, 2(142)
BDBM50229885	29	2	2	0	0	0	0	0	Adenosine receptor Adenosine receptor A1 Adenosine receptor A2 Adenosine receptor A2b Adenosine receptor A3	CHEMBL260331 CHEMBL506685 N-(benzo[d][1,3]dioxol-5-yl)-2-(5-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yloxy)acetamide N-Benzo[1,3]dioxol-5-yl-2-[5-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yloxy]-acetamide
BDBM50251742	3	30	0	0	0	0	0	0	Endothelin-converting enzyme 1 Endothelin-converting enzyme 1 (ECE1) Endothelin-converting enzyme 2 (ECE-2) Neprilysin Neutral Endopeptidase (NEP) Thermolysin	(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-2H-pyran-2-yl hydrogen (S)-1-((S)-1-(1H-indol-3-yl)-3-oxobutan-2-ylamino)-4-methyl-1-oxopentan-2-ylphosphoramidate (S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-pentanoylamino}-3-(1H-indol-3-yl)-propionic acid (S)-2-{(S)-2-[Hydroxy-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-pentanoylamino}-3-(1H-indol-3-yl)-propionic acid (S)-2-{(S)-2-[Hydroxy-((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-pentanoylamino}-3-(1H-indol-3-yl)-propionic acid (S)-2-{(S)-2-[Hydroxy-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-1-oxo-pentylamino}-3-(1H-indol-3-yl)-propionic acid (S)-2-{(S)-2-[Hydroxy-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-pentanoylamino}-3-(1H-indol-3-yl)-propionic acid (S)-3-(1-Hydroxy-1H-indol-3-yl)-2-{(S)-2-[hydroxy-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-pentanoylamino}-propionic acid (phosphoramidon) 2-{2-[Hydroxy-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-pentanoylamino}-3-(1H-indol-3-yl)-propionic acid 2-{2-[Hydroxy-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-pentanoylamino}-3-(1H-indol-3-yl)-propionic acid 2-{2-[Hydroxy-(3,4,6-trihydroxy-5-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-pentanoylamino}-3-(1H-indol-3-yl)-propionic acid( Phosphoramidon) CHEMBL479579 N-alpha-L-rhamnopyranosyloxy(hydroxyphosphinyl)-L-Leucyl-L-Tryptophan Phosphoramidon Phosporamidon phosphramidon
BDBM50278313	33	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	CHEMBL471869 sodium tellurate(VI)
BDBM50278316	33	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	CHEMBL450079 sodium pyrophosphate(V)
BDBM50278319	33	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	CHEMBL502764 sodium persulfate
BDBM50322422	0	33	0	0	0	0	0	0	Histone Deacetylase 10 (HDAC10) Histone deacetylase 1 Histone deacetylase 11 Histone deacetylase 2 Histone deacetylase 3 Histone deacetylase 4 Histone deacetylase 5 Histone deacetylase 6 Histone deacetylase 7 Histone deacetylase 8 Histone deacetylase 9 SUMO1 activating enzyme subunit 1 Ubiquitin-like modifier-activating enzyme 1	CHEMBL1173445 Largazole
BDBM50330882	32	1	0	0	0	0	0	0	Nitric Oxide Synthase, endothelial Nitric Oxide Synthase, inducible Nitric oxide synthase, brain Nitric oxide synthase, endothelial Nitric oxide synthase, inducible Nitric-oxide synthase, brain	CHEMBL1277951 CHEMBL594682 N1-((3R,4R)-4-((6-aminopyridin-2-yl)methyl)pyrrolidin-3-yl)-N2-(4-fluorobenzyl)ethane-1,2-diamine tetrahydrochloride US9090589, 1 US9212144, 1 US9783500, Compound 2
BDBM50333131	33	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	CHEMBL1075630 sodium pyrovanadate(V) tetrasodium {[dioxido(oxo)vanadio]oxy}(oxo)vanadiumbis(olate)
BDBM50370232	12	13	1	7	0	0	0	0	Arylacetamide deacetylase Bile salt export pump Bile salt export pump (BSEP) Enoyl-ACP Reductase (InhA) NH(3)-dependent NAD(+) synthetase Pregnane X receptor (PXR) Serum albumin Solute carrier organic anion transporter family member 1A1 Solute carrier organic anion transporter family member 1A2 Solute carrier organic anion transporter family member 1A4 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 Sterol 14α-demethylase (CYP51)	BA-41166E L-5103 RIFAMPIN Rifadin Rifampicin
BDBM50380682	6	19	8	0	0	0	0	0	ATPase family AAA domain-containing protein 2 BET bromodomain 4 (BRD4) Bromodomain-containing protein 2 Bromodomain-containing protein 3 Bromodomain-containing protein 4 CREB-binding protein Cytochrome P450 2C9 Cytochrome P450 3A cAMP-specific 3',5'-cyclic phosphodiesterase 4B	CHEMBL2017291 I-BET151 (16)
BDBM50429477	0	33	0	0	0	0	0	0	Aurora kinase A Aurora kinase B CaM kinase IV Cyclin-dependent kinase 2 Dual specificity mitogen-activated protein kinase kinase 1 Epidermal growth factor receptor Fibroblast growth factor receptor 2 Insulin-like growth factor I receptor Mast/stem cell growth factor receptor Kit Mitogen-activated protein kinase kinase kinase 9 (MLK1) Myotonin-protein kinase PAK1 Platelet-derived growth factor receptor Platelet-derived growth factor receptor beta Protein delta homolog 1 RAF proto-oncogene serine/threonine-protein kinase Receptor tyrosine-protein kinase erbB-2 Receptor tyrosine-protein kinase erbB-4 Serine/threonine-protein kinase Chk1 Serine/threonine-protein kinase PAK 4 Serine/threonine-protein kinase PIM Serine/threonine-protein kinase PLK1 Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha Tyrosine-protein kinase CTK Tyrosine-protein kinase Lck Tyrosine-protein kinase SYK Tyrosine-protein kinase receptor FLT3 Vascular endothelial growth factor receptor 2 Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2) p21-Activated kinase 2 (PAK2)	CHEMBL2332840
BDBM50446130	1	31	0	1	0	0

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