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Compounds Sorted by Binding Data per Compound

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965   989   995   997   1013   1027   1054   1096   1125   1196   1353   1429   1598   

Compounds Sorted Alphabetically

Compound Name (alphabetical)	Enz. Inhib. Data							ITC Data	Binding Targets	Alternate Compound Names
	Ki	IC50	Kd	EC50	Koff	Kon	Other
BDBM10527	0	13	0	0	0	0	0	0	Caspase-1 Caspase-3 Caspase-7 Caspase-8	(3S)-5-(benzylsulfanyl)-3-[(2S)-2-[1-(5-bromo-2-methoxyphenyl)acetamido]-3-methylbutanamido]-4-oxopentanoic acid BROMOMETHOXYPHENYL INHIBITOR valine aspartyl ketone 29 valine aspartyl ketone 6 valine aspartyl ketone analog 10
BDBM106699	0	13	0	0	0	0	0	0	5-hydroxytryptamine 1D receptor (5HT1D) Cytochrome P450 1A Cytochrome P450 2C19 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 3A Nitric oxide synthase, brain Nitric oxide synthase, endothelial Nitric oxide synthase, inducible Nitric-oxide synthase, brain	CHEMBL1957350 US8586620, 46
BDBM10750	2	11	0	0	0	0	0	0	Acetylcholinesterase Amine oxidase [flavin-containing] A Amine oxidase [flavin-containing] B Butyrylcholinesterase (BChE) Monoamine Oxidase Type B (MAO-B) Monoamine oxidase	(3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-5-yl N-ethyl-N-methylcarbamate hydrochloride Aminoindan deriv. (R)18b Aminoindan deriv. (R)18b.HCl N-propargylaminoindan (R)18b.HCl R-CPAI
BDBM10853	1	5	7	0	0	0	0	0	Chitinase Chitinase (chiA1) Chitinase B Chitinase Mutant (A217G) Chitinase Mutant (D175A) Chitinase Mutant (E322A) Chitinase Mutant (M243A) Chitinase Mutant (R301K) Chitinase Mutant (T138A) Endochitinase B1	(2R,5S,8S,11S,15S)-8-benzyl-2,7-dimethyl-5-[3-({[(methylcarbamoyl)amino]methanimidoyl}amino)propyl]-3,6,9,13,17-pentaoxo-1,4,7,10,14-pentaazacycloheptadecane-11,15-dicarboxylic acid Argifin
BDBM11337	11	2	0	0	0	0	0	0	Carbonic Anhydrase IV Carbonic anhydrase 1 Carbonic anhydrase 2 Collagenase Collagenase (ChC) Matrix Metalloproteinase-8 (MMP-8) Matrix metalloproteinase 12 Matrix metalloproteinase-1 (MMP1) Stromelysin-1	2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxypropanamide CHEMBL316169 Hydroxamate 18
BDBM11548	11	2	0	0	0	0	0	0	ADAM17 Collagenase Matrix metalloproteinase-1 (MMP1)	CHEMBL100570 N-hydroxy-2-[(4-methoxy-1,1-biphenyl-4-yl)methyl]isothiazolidine-3-carboxamide 1,1-dioxide N-hydroxy-2-{[4-(4-methoxyphenyl)phenyl]methyl}-1,1-dioxo-1,2-thiazolidine-3-carboxamide Sultam Hydroxamate 15a
BDBM12028	2	11	0	0	0	0	0	0	CDK2/CycE CDK2/Cyclin A/Cyclin A1 CDK7/Cyclin H/MNAT1 Cyclin-Dependent Kinase 1 (CDK1) Cyclin-Dependent Kinase 2 (CDK2) Cyclin-Dependent Kinase 4 (CDK4) Cyclin-Dependent Kinase 7 (CDK7) Cyclin-Dependent Kinase 9 (CDK9) Cyclin-dependent kinase 1 Cyclin-dependent kinase 2 Cyclin-dependent kinase 4 Cyclin-dependent kinase 9	4-Arylazo-3,5-diamino-1H-pyrazole 31b 4-[(E)-2-(3,5-diamino-1H-pyrazol-4-yl)diazen-1-yl]phenol CAN508
BDBM12075	1	12	0	0	0	0	0	0	Collagenase Matrix metalloproteinase-1 (MMP1) Matrix metalloproteinase-14 (MMP14) Matrix metalloproteinase-7 (MMP7) Stromelysin-1	(2S)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-3-methylbutanoic acid CHEMBL43152 alpha-arylsulfonylamino carboxylate 2S
BDBM123327	4	5	4	0	0	0	0	0	Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 3A Orexin receptor type 1 Orexin receptor type 2 Potassium voltage-gated channel subfamily H member 2	US8742106, 1.6
BDBM12352	3	10	0	0	0	0	0	0	Alkaline phosphatase, tissue-nonspecific isozyme Cytochrome P450 2A6 Cytochrome P450 2B6 Cytochrome P450 2C19 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 2E1 Cytochrome P450 3A	3-(1-methyl-1H-imidazol-4-yl)pyridine CHEMBL360999 US8609708, 5 cid_11344157 nicotine 3-heteroaromatic analogue 5
BDBM12356	3	10	0	0	0	0	0	0	Alkaline phosphatase, tissue-nonspecific isozyme Cytochrome P450 2A6 Cytochrome P450 2B6 Cytochrome P450 2C19 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 2E1 Cytochrome P450 3A	3-(2-methyl-1H-imidazol-1-yl)pyridine CHEMBL368883 US8609708,13 cid_16654686 nicotine 3-heteroaromatic analogue 9
BDBM12358	3	10	0	0	0	0	0	0	Cytochrome P450 2A6 Cytochrome P450 2B6 Cytochrome P450 2C19 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 2E1 Cytochrome P450 3A	3-(4-methylthiophen-3-yl)pyridine CHEMBL179704 US8609708, 17 US8609708,17 nicotine 3-heteroaromatic analogue 11
BDBM12577	3	8	0	0	0	0	0	0	Farnesyl Diphosphate Synthase (FPPS) Farnesyl diphosphate synthase Geranylgeranyl Diphosphate Synthase (GGPPS) Squalene synthetase	Bisphosphonate 2 CHEMBL997 JMC515594 Compound 53 {1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl}phosphonic acid
BDBM13054	13	0	0	0	0	0	0	0	Carbonic Anhydrase VA Carbonic Anhydrase VB Carbonic Anhydrase XIII Carbonic Anhydrase XIV Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 4 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 7 Carbonic anhydrase 9	(2R,4R)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H-1,7-thieno[2,3-b]thiopyran-6-sulfonamide Dorzolamide, DZA sulfonamide 5
BDBM13075	0	13	0	0	0	0	0	0	Carbonic anhydrase 1 Carbonic anhydrase 2	2,4-dichloro-5-sulfamoylbenzoic acid 2000-01951 Lasamide (Hsba) LeadQuest Compound 9
BDBM13280	13	0	0	0	0	0	0	0	Coagulation factor X Plasminogen Thrombin and coagulation factor X Tissue-type plasminogen activator Trypsin Trypsin II Trypsin-1 Vitamin K-dependent protein C	3-{[(3S)-3-[(7-methoxynaphthalene-2-)sulfonamido]-2-oxopyrrolidin-1-yl]methyl}benzene-1-carboximidamide CHEMBL327600 Sulfonamidopyrrolidinone 3a
BDBM14047	0	13	0	0	0	0	0	0	Cyclin-dependent kinase 2 Glycogen synthase kinase-3 Inhibitor of NF-kappa-B kinase (IKK) Mitogen-activated protein kinase 10 RAC-alpha serine/threonine-protein kinase AKT1 Rho-associated protein kinase 1 Rho-associated protein kinase 2 Ribosomal protein S6 kinase alpha 1 Ribosomal protein S6 kinase alpha 5 Serine/threonine-protein kinase AKT Serine/threonine-protein kinase AKT2 Serine/threonine-protein kinase PLK1	Aminofurazanyl-azabenzimidazole 6n N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-[2-(morpholin-4-yl)ethoxy]benzamide
BDBM14150	13	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	APC-11417 CA-12 CRA-11417 {amino[6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-indol-5-yl]methylidene}azanium
BDBM14773	2	11	0	0	0	0	0	0	Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B 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)	4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexane-1-carboxylic acid 4-cyano-4-[3-(cyclopentyloxy)-4-methoxyphenyl]cyclohexane-1-carboxylic acid Ariflo Cilomilast SB207499
BDBM148176	0	13	0	0	0	0	0	0	Beta-secretase 1 Beta-secretase 2 Cathepsin D Cytochrome P450 1A Cytochrome P450 2C19 Cytochrome P450 2C8 Cytochrome P450 2D6 (2D6) Cytochrome P450 3A Potassium voltage-gated channel subfamily H member 2	US8962616, 22 US8962616, 4
BDBM15148	0	13	0	0	0	0	0	0	RAC-alpha serine/threonine-protein kinase AKT1 Serine/threonine-protein kinase AKT Serine/threonine-protein kinase AKT2 Serine/threonine-protein kinase Sgk1	2,3-diphenylquinoxaline 1 2-[4-(3-phenylquinoxalin-2-yl)phenyl]propan-2-amine
BDBM15222	13	0	0	0	0	0	0	0	Carbonic Anhydrase VA Carbonic Anhydrase VB Carbonic anhydrase 1 Carbonic anhydrase 2 Carbonic anhydrase 9	4-Azidobenzenesulfonamide 4-azidobenzene-1-sulfonamide CHEMBL222837 azide 1
BDBM155255	0	13	0	0	0	0	0	0	Cytochrome P450 1A Cytochrome P450 1A1 Cytochrome P450 2C19 Cytochrome P450 2C8 Cytochrome P450 2C9 Cytochrome P450 2D6 Cytochrome P450 2D6 (2D6) H3K27me2 H3K27me3 Histone-lysine N-methyltransferase EZH2	US10098888, Compound 105 US9006242, 105
BDBM160075	4	9	0	0	0	0	0	0	Cytochrome P450 2C19 P2X purinoceptor 7 P2X purinoceptor 7 (P2X7) P2X7 rat Potassium voltage-gated channel subfamily H member 2	US10047092, 16 US9040534, 16
BDBM160130	5	8	0	0	0	0	0	0	P2X purinoceptor 7 P2X purinoceptor 7 (P2X7) P2X7 rat	US10047092, 72 US10053463, 72 US9040534, 71 US9040534, 72
BDBM162872	0	13	0	0	0	0	0	0	1,3-beta-glucan synthase component GLS2 ATP-sensitive inward rectifier potassium channel 1 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 3A Inward rectifier potassium channel 2 Inward rectifier potassium channel 4 Renal Outer Medullary Potassium (ROMK) Voltage-gated calcium channel Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2)	US9056859, 72
BDBM16294	10	3	0	0	0	0	0	0	Enoyl-ACP Reductase (FabI) Enoyl-ACP Reductase (InhA) Enoyl-ACP reductase (FabI1) Enoyl-ACP reductase (Wt ypFabV) Enoyl-ACP reductase T276S (T276S ypFabV) Enoyl-[acyl-carrier-protein] reductase [NADH] (ftuFabl)	2PP 5-Ethyl-2-phenoxy-phenol 5-butyl-2-phenoxylphenol 5-ethyl-2-phenoxyphenol AIDS227443 PT01 US10071965, Compound PT04
BDBM16316	1	12	0	0	0	0	0	0	Inhibitor of NF-kappa-B kinase (IKK) MAP kinase p38 MAP kinase-activated protein kinase 2 Mitogen-activated protein kinase 14 Protein kinase C alpha type Protein kinase C delta type Tyrosine-protein kinase JAK3 Tyrosine-protein kinase Lck Tyrosine-protein kinase SYK Tyrosine-protein kinase ZAP-70 Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2) cAMP-dependent protein kinase (PKA)	3-({4-[(2,2-dimethylpropyl)(methyl)amino]-6-(4-methyl-1,4-diazepan-1-yl)-1,3,5-triazin-2-yl}amino)-N-methoxy-4-methylbenzamide CHEMBL225088 triaminotriazine aniline amide inhibitor, 1
BDBM170440	6	7	0	0	0	0	0	0	Cytochrome P450 2D6 (2D6) Monoamine transporters; serotonin & dopamine Sodium-dependent noradrenaline transporter Sodium-dependent serotonin transporter	US9085531, 40
BDBM17060	0	13	0	0	0	0	0	0	MAP kinase p38 Mitogen-activated protein kinase 10 Mitogen-activated protein kinase 14 Mitogen-activated protein kinase 3 Non-receptor tyrosine-protein kinase TYK2 Proto-oncogene tyrosine-protein kinase Src SRC Tyrosine-protein kinase JAK1 Tyrosine-protein kinase JAK2 Tyrosine-protein kinase JAK3 Tyrosine-protein kinase Lck Tyrosine-protein kinase Lyn	1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(piperidin-4-yl)-1,2,3,4-tetrahydroquinazolin-2-one CHEMBL319556 Dihydro-quinazolinone analog, 9
BDBM17448	2	11	0	0	0	0	0	0	Indoleamine 2,3-dioxygenase 1 Methionine aminopeptidase 2 Tryptophan 2,3-dioxygenase	1,2,3-triazole analogue, 4 5-phenyl-1H-1,2,3-triazole
BDBM17744	0	13	0	0	0	0	0	0	Fibroblast growth factor receptor 1 Hepatocyte growth factor receptor Insulin-like growth factor I receptor Mitogen-activated protein kinase 10 Mitogen-activated protein kinase 14 Proto-oncogene tyrosine-protein kinase Src Tyrosine-protein kinase BTK Tyrosine-protein kinase JAK2 Tyrosine-protein kinase JAK3 Tyrosine-protein kinase Lck Tyrosine-protein kinase ZAP-70 Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)	2,6-dimethylphenyl N-[2-({3,5-dimethoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}amino)pyrimidin-4-yl]-N-(2,4-dimethoxyphenyl)carbamate 2-aminopyrimidine carbamate, 43
BDBM18073	2	9	0	0	0	0	0	0	Alkaline phosphatase, tissue-nonspecific isozyme Intestinal alkaline phosphatase Intestinal alkaline phosphatase (IAP) L-type amino acid transporter 1 Phospholipase A-2-activating protein Tissue non-specific alkaline phosphatase (TNAP) Voltage-gated calcium channel alpha2/delta subunit 1	(2S)-2-amino-3-phenylpropanoic acid CHEMBL301523 L-[2,3,4,5,6-3H]phenylalanine L-phenylalanine Phenylalanine
BDBM18361	1	12	0	0	0	0	0	0	β-galactosidase Acidic alpha-glucosidase Glucosylceramidase Lactase-glycosylceramidase Trehalase Uncharacterized protein alpha-Glucosidase (α-Glucosidase) alpha-Glucosidase (alpha-Glu)	(2R,3S,4R,5R,6R)-2-butyl-6-(hydroxymethyl)piperidine-3,4,5-triol alpha-1-C-Butyl-DNJ
BDBM18510	0	13	0	0	0	0	0	0	Dihydrofolate Reductase (DHFR) Dihydrofolate reductase Dihydrofolate reductase (DHFR)	5-{3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxyphenoxy}pentanoic acid CHEMBL37520 Diaminopyrimidine, 22
BDBM186927	13	0	0	0	0	0	0	0	5-hydroxytryptamine receptor 1A (5HT1A) 5-hydroxytryptamine receptor 1D (5HT1D) 5-hydroxytryptamine receptor 2A (5HT2A) 5-hydroxytryptamine receptor 2B (5HT2B) 5-hydroxytryptamine receptor 2C (5HT2C) 5-hydroxytryptamine receptor 7 (5HT7) Alpha-1A adrenergic receptor Alpha-1B adrenergic receptor Alpha-1D adrenergic receptor Dopamine D1 receptor Dopamine D2 receptor Dopamine D3 receptor Dopamine D4 receptor	US9079895, 19s
BDBM18763	13	0	0	0	0	0	0	0	Dihydrofolate reductase Thymidylate Synthase (TS) Thymidylate synthase Thymidylate synthase (TS)	1,8-naphthalein derivative, 10 4,4-bis(3-chloro-4-hydroxyphenyl)-3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-2-one A15 A156 Alpha 156 CHEMBL67116
BDBM18778	10	3	0	0	0	0	0	0	Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant SP21	CHEMBL22405 P16 methyl 4-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]butanoate
BDBM18783	10	3	0	0	0	0	0	0	Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant SP21	5-(3,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine CHEMBL21799 P13
BDBM18785	10	3	0	0	0	0	0	0	Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant SP21	5-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine CHEMBL22039 P38
BDBM18867	0	9	0	4	0	0	0	0	Thyroid Hormone Receptor (TR-beta) Thyroid hormone receptor	2-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)phenoxy]phenyl}acetic acid KB-131092 dibromo phenylacetic acid, 11a
BDBM19847	0	9	0	4	0	0

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