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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
BDBM10015	Bile salt export pump Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 Cytochrome P450 19A1 Multidrug resistance-associated protein 4 Uridine-5'-diphosphoglucuronosyltransferase 1A4	1	15	0	0	0	0	0	0	2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile 2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propanenitrile ANASTROZOLE CHEMBL1399 NSC719344 arimidex
BDBM101618	PAK 1/CDC42 Serine/threonine-protein kinase PAK 4 Serine/threonine-protein kinase PAK6 Serine/threonine-protein kinase PAK7 p21-Activated kinase 2 (PAK2) p21-Activated kinase 3 (PAK3)	2	6	0	0	0	0	0	0	US8530652, 114
BDBM10247	Caspase-2 Caspase-3 Caspase-6 Caspase-7 Caspase-8 Heat shock protein HSP 90-beta	0	6	0	0	0	0	0	0	1,2,3,4-tetrahydroisoquinoline-1,3,4-trione Isoquinoline-1,3,4-trione 1 hsp90_153
BDBM10452	5-hydroxytryptamine receptor 1A Acetylcholinesterase Adrenergic alpha1B Alpha-1A adrenergic receptor Alpha-1D adrenergic receptor Carboxylic ester hydrolase	8	2	0	0	0	0	0	0	Bivalent 4-Aminoquinoline 9f N,N-di-4-Quinolyl-1,7-diaminoheptane dihydrochloride N-[7-(quinolin-4-ylamino)heptyl]quinolin-4-amine dihydrochloride
BDBM104963	Dual specificity mitogen-activated protein kinase kinase 1 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; MEK1/2 Mitogen-activated protein kinase 1 Mitogen-activated protein kinase kinase kinase 8 Serine/threonine-protein kinase B-raf	0	15	2	0	0	0	0	0	CHEMBL507361 US8575391, Q
BDBM10515	Acetylcholinesterase Aldose reductase (AR) Cholinesterases SUMO1 activating enzyme subunit 1 eukaryotic translation initiation factor 4 gamma, 1 isoform 4 hexokinase	1	5	0	0	0	0	0	0	5-(1,2-dithiolan-3-yl)pentanoic acid CHEMBL33864 D,L-Lipoic acid D,L-Thioctic acid cid_864 lipoic acid (LA)
BDBM106698	5-hydroxytryptamine 1D receptor (5HT1D) Nitric oxide synthase, brain Nitric oxide synthase, endothelial Nitric oxide synthase, inducible Nitric-oxide synthase, brain Serotonin 1B/1D receptor	0	9	0	0	0	0	0	0	CHEMBL1957349 US8586620, 42
BDBM106776	12-Lipoxygenase (12-LOX) 15-Lipoxygenase-2 (15-LOX-2) Arachidonate 15-lipoxygenase Arachidonate 5-lipoxygenase Cyclooxygenase Prostaglandin G/H synthase (cyclooxygenase)	0	7	0	0	0	0	0	0	3‐(3‐chlorophenyl)‐6,7‐dihydroxy‐4H‐chromen‐4‐one 6,7-Dihydroxy-3′-chloro-isoflavone (1c) IR-8
BDBM106787	12-Lipoxygenase (12-LOX) 15-Lipoxygenase-2 (15-LOX-2) Arachidonate 15-lipoxygenase Arachidonate 5-lipoxygenase Cyclooxygenase Prostaglandin G/H synthase (cyclooxygenase)	0	7	0	0	0	0	0	0	3‐(4‐methylphenyl)‐3,4‐dihydro‐2H‐1‐benzopyran‐7,8‐ diol 7,8-Dihydroxy-4′-methylisoflavan (5b) HIR-303
BDBM106788	12-Lipoxygenase (12-LOX) 15-Lipoxygenase-2 (15-LOX-2) Arachidonate 15-lipoxygenase Arachidonate 5-lipoxygenase Cyclooxygenase Prostaglandin G/H synthase (cyclooxygenase)	0	7	0	0	0	0	0	0	3‐(3‐methylphenyl)‐3,4‐dihydro‐2H‐1‐benzopyran‐7,8‐ diol 7,8-Dihydroxy-3′-methylisoflavan (5c) HIR-309
BDBM106971	Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 3A Nuclear receptor subfamily 1 group I member 2 Orexin receptor type 1 Orexin receptor type 2	4	5	0	1	0	0	0	0	US8592457, 7-5
BDBM107661	11-beta-hydroxysteroid dehydrogenase 11-beta-hydroxysteroid dehydrogenase 1 Cytochrome P450 2C19 Cytochrome P450 2C9 Cytochrome P450 2D6 Cytochrome P450 3A	0	11	0	0	0	0	0	0	US8575157, 37
BDBM107704	Egl nine homolog 1 Hypoxia-inducible factor 1 (FIH) Prolyl 3-hydroxylase OGFOD1 Prolyl 4-hydroxylase Prolyl hydroxylase EGLN3 Vascular endothelial growth factor A	1	17	0	3	0	0	0	0	US8598210, 119 US8598210, Table XV, 10 US8598210, Table XV, 11 US8722895, 10: {[5-(3-Chlorophenyl)-3-hydroxypyridine-2- carbonyl]amino}-acetic acid trifluoroacetic acid salt US8722895, 11: {[5-(3-Chlorophenyl)-3-hydroxypyridine-2- carbonyl]amino}-acetic acid US9598370, Example 00136 USRE47437, Example {[5-(3-Chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino}-acetic acid
BDBM10774	Acetylcholinesterase Amine oxidase (flavin-containing) A Amine oxidase [flavin-containing] B Butyrylcholinesterase (BChE) Monoamine Oxidase Type B (MAO-B) Monoamine oxidase	2	4	0	0	0	0	0	0	(3R)-3-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1H-inden-5-yl N-ethyl-N-methylcarbamate 6-(N-methyl-N-ethyl-carbamoyloxy)-N-methyl-N-propargyl--1(R)-aminoindan Aminoindan deriv. (R)19b N-propargylaminoindan (R)19b R-M6CPAI rasagiline analog
BDBM108111	Coagulation factor X Coagulation factor XI Plasma kallikrein Plasminogen Transcription initiation factor IIA Vitamin K-dependent protein C	6	0	0	0	0	0	0	0	US8598206, Table 6, 20
BDBM10839	Casein Kinase I Cyclin-Dependent Kinase 1 (CDK1) Cyclin-Dependent Kinase 5 (CDK5) Glycogen Synthase Kinase-3, beta cAMP-Dependent Protein Kinase (PKA) cGMP-Dependent Protein Kinase	0	6	0	0	0	0	0	0	3-(2-aminopyrimidin-4-yl)-6-bromo-1H-indol-4-ol Meridianin B
BDBM10842	Casein Kinase I Cyclin-Dependent Kinase 1 (CDK1) Cyclin-Dependent Kinase 5 (CDK5) Glycogen Synthase Kinase-3, beta cAMP-Dependent Protein Kinase (PKA) cGMP-Dependent Protein Kinase	0	6	0	0	0	0	0	0	3-(2-aminopyrimidin-4-yl)-7-bromo-1H-indol-4-ol Meridianin E
BDBM10846	Axin-1/Glycogen synthase kinase-3 beta Cyclin-Dependent Kinase 1 (CDK1) Cyclin-Dependent Kinase 5 (CDK5) Glycogen Synthase Kinase-3, beta cAMP-Dependent Protein Kinase (PKA) cGMP-Dependent Protein Kinase	0	6	0	0	0	0	0	0	4-(1H-indol-2-yl)pyrimidin-2-amine isomeridianin G
BDBM10910	CDK2/CycE Casein Kinase I Cyclin-Dependent Kinase 1 (CDK1) Cyclin-Dependent Kinase 5 (CDK5) Dual-specificity tyrosine-phosphorylation regulated kinase 1A Mitogen-activated protein kinase 1	0	6	0	0	0	0	0	0	(2R)-2-{[6-(benzyloxy)-9-(propan-2-yl)-9H-purin-2-yl]amino}butan-1-ol O6-(R)-roscovitine R-2-(6-Benzyloxy-9-isopropyl-9H-purin-2-yl-amino)-butan-1-ol
BDBM11021	Amine oxidase (flavin-containing) A Amine oxidase [flavin-containing] B Monoamine Oxidase Type B (MAO-B) Monoamine oxidase type B (MAO-B) Mutant (I199F) Neuraminidase A Uridine-5'-diphosphoglucuronosyltransferase 1A1	7	3	0	0	0	0	0	0	(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol trans,trans-Farnesol
BDBM11028	Carbonic Anhydrase XIV Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 7 Carbonic anhydrase 9	8	0	0	0	0	0	0	0	1-Acetamido-5-sulfonamidoindane CHEMBL359768 Indanesulfonamide Derivative 5 N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)acetamide
BDBM11029	Carbonic Anhydrase XIV Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 7 Carbonic anhydrase 9	8	0	0	0	0	0	0	0	2-acetamido-5-sulfonamidoindane CHEMBL184674 Indanesulfonamide Derivative 6 N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)acetamide
BDBM11030	Carbonic Anhydrase XIV Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 7 Carbonic anhydrase 9	6	0	0	0	0	0	0	0	1-valproylamido-5-sulfonamidoindane 2-propyl-N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)pentanamide CHEMBL204941 Indanesulfonamide Derivative 11a
BDBM11031	Carbonic Anhydrase XIV Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 7 Carbonic anhydrase 9	6	0	0	0	0	0	0	0	2-propyl-N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)pentanamide 2-valproylamido-5-sulfonamidoindane CHEMBL381730 Indanesulfonamide Derivative 12a
BDBM11032	Carbonic Anhydrase XIV Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 7 Carbonic anhydrase 9	6	0	0	0	0	0	0	0	1-cyclohexylamido-5-sulfonamidoindane CHEMBL206830 Indanesulfonamide Derivative 11b N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)cyclohexanecarboxamide
BDBM11033	Carbonic Anhydrase XIV Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 7 Carbonic anhydrase 9	6	0	0	0	0	0	0	0	2-cyclohexylamido-5-sulfonamidoindane CHEMBL204990 Indanesulfonamide Derivative 12b N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)cyclohexanecarboxamide
BDBM11035	Carbonic Anhydrase XIV Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 7 Carbonic anhydrase 9	8	0	0	0	0	0	0	0	2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)benzamide 2-pentafluorophenylamido-5-sulfonamidoindane CHEMBL184361 Indanesulfonamide Derivative 12c
BDBM11036	Carbonic Anhydrase XIV Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 7 Carbonic anhydrase 9	6	0	0	0	0	0	0	0	2-ethylamido-5-sulfonamidoindane CHEMBL204740 Indanesulfonamide Derivative 12d N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)propanamide
BDBM11037	Carbonic Anhydrase XIV Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 7 Carbonic anhydrase 9	6	0	0	0	0	0	0	0	2-propylamido-5-sulfonamidoindane CHEMBL205743 Indanesulfonamide Derivative 12e N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)butanamide
BDBM11038	Carbonic Anhydrase XIV Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 7 Carbonic anhydrase 9	6	0	0	0	0	0	0	0	2-butylamido-5-sulfonamidoindane CHEMBL208531 Indanesulfonamide Derivative 12f N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)pentanamide
BDBM11039	Carbonic Anhydrase XIV Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 7 Carbonic anhydrase 9	6	0	0	0	0	0	0	0	2-nonylamido-5-sulfonamidoindane CHEMBL208532 Indanesulfonamide Derivative 12g N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)decanamide
BDBM11053	Carbonic anhydrase Carbonic anhydrase 1 Carbonic anhydrase 2 Carbonic anhydrase 9 Carbonic anhydrase V Carbonic anhydrases; II & IX	10	0	0	0	0	0	0	0	CHEMBL386049 N-(4-sulfamoylphenyl)-2-sulfanylbenzamide reduced monomeric thio of compound 5a reduced thio H5a
BDBM111811	Cyclooxygenase Lipoxygenase (LOX) Nuclear factor erythroid 2-related factor 2 Phospholipase A2 Prostaglandin E synthase Prostaglandin G/H synthase (cyclooxygenase)	0	5	0	1	0	0	0	0	(1Z,4Z)–1-5-Bis[2,3(dimethoxy)phenyl]-1,4- pentadien-3-one (9)
BDBM113577	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-9 Stromelysin-1	0	9	0	0	0	0	0	0	US8633196, 14 US8633196, 5 US9365529, 5
BDBM113588	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-9 Stromelysin-1	0	7	0	0	0	0	0	0	US8633196, 18 US9365529, 18
BDBM113589	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-9 Stromelysin-1	0	7	0	0	0	0	0	0	US8633196, 19 US9365529, 19
BDBM113590	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-9 Stromelysin-1	0	7	0	0	0	0	0	0	US8633196, 21 US9365529, 21
BDBM113591	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-9 Stromelysin-1	0	7	0	0	0	0	0	0	US8633196, 23 US9365529, 23
BDBM113592	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-9 Stromelysin-1	0	8	0	0	0	0	0	0	US8633196, 24 US9365529, 24
BDBM113593	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-9 Stromelysin-1	0	8	0	0	0	0	0	0	US8633196, 26 US9365529, 26
BDBM11464	Dipeptidyl peptidase 2 (DPP II) Dipeptidyl peptidase 4 Dipeptidyl peptidase 9 Dipeptidyl peptidase II and dipeptidyl peptidase IV (DPP2 and DPP4) Dipeptidyl peptidase IV Dipeptidyl peptidase VIII	6	25	0	0	0	0	0	0	(2S,3S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one BMCL15687 Compound 4 CHEMBL98408 P32-98 thiazolidide 2
BDBM11719	Dipeptidyl peptidase 2 (DPP II) Dipeptidyl peptidase 4 Dipeptidyl peptidase 9 Dipeptidyl peptidase VIII Fibroblast Activation Protein (FAP) Fibroblast activation protein alpha	0	12	0	0	0

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