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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
BDBM103334	Cytochrome P450 1A Cytochrome P450 2C19 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 3A Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1) Estradiol 17-beta-dehydrogenase 2	0	8	0	0	0	0	0	0	US8546392, 19
BDBM103338	Cytochrome P450 1A Cytochrome P450 2C19 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 3A Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1) Estradiol 17-beta-dehydrogenase 2	0	8	0	0	0	0	0	0	US8546392, 59
BDBM103346	Cytochrome P450 1A Cytochrome P450 2C19 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 3A Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1) Estradiol 17-beta-dehydrogenase 2	0	8	0	0	0	0	0	0	US8546392, 70
BDBM103737	JAK1 (aa 850-1154) JAK2 (aa 808-1132) JAK3 (aa 781-1124) Non-receptor tyrosine-protein kinase TYK2 Tyrosine-protein kinase JAK1 Tyrosine-protein kinase JAK2 Tyrosine-protein kinase JAK3	0	10	0	0	0	0	0	0	US10206907, Compound 234 US8563545, 11
BDBM103842	D(2) dopamine receptor Histone Lysine Demethylase Homo sapiens lysine demethylase 2A (KDM2A) Jumonji domain-containing protein 2A (JMJD2A) Jumonji domain-containing protein 2C (JMJD2C) Lysine-specific demethylase 3A Lysine-specific demethylase 5C	0	7	0	0	0	0	0	0	4HQ derivative 4
BDBM103843	D(2) dopamine receptor Histone Lysine Demethylase Homo sapiens lysine demethylase 2A (KDM2A) Jumonji domain-containing protein 2A (JMJD2A) Jumonji domain-containing protein 2C (JMJD2C) Lysine-specific demethylase 3A Lysine-specific demethylase 5C	0	7	0	0	0	0	0	0	4HQ derivative 6
BDBM103844	D(2) dopamine receptor Histone Lysine Demethylase Homo sapiens lysine demethylase 2A (KDM2A) Jumonji domain-containing protein 2A (JMJD2A) Jumonji domain-containing protein 2C (JMJD2C) Lysine-specific demethylase 3A Lysine-specific demethylase 5C	0	7	0	0	0	0	0	0	4HQ derivative 7
BDBM103845	D(2) dopamine receptor Histone Lysine Demethylase Homo sapiens lysine demethylase 2A (KDM2A) Jumonji domain-containing protein 2A (JMJD2A) Jumonji domain-containing protein 2C (JMJD2C) Lysine-specific demethylase 3A Lysine-specific demethylase 5C	0	7	0	0	0	0	0	0	4HQ derivative 8
BDBM10620	Acetylcholinesterase Butyrylcholinesterase Butyrylcholinesterase (BChE) Butyrylcholinesterase (BuChE) Carboxylic ester hydrolase Cholinesterases Sodium-dependent serotonin transporter	4	88	0	0	0	0	0	0	(S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)carbamate 3-((1S)-1-(Dimethylamino)ethyl)phenyl N-ethyl N-methyl carbamate 3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)carbamate 3-[(1S)-1-(dimethylamino)ethyl]phenyl N-ethyl-N-methylcarbamate CHEMBL636 ENA-713 Ethyl-methyl-carbamic acid 3-((R)-1-dimethylamino-ethyl)-phenyl ester Ethyl-methyl-carbamic acid 3-((S)-1-dimethylamino-ethyl)-phenyl ester Ethyl-methyl-carbamic acid 3-(1-dimethylamino-ethyl)-phenyl ester Exelon RIVASTIGMINE Rivastigmine Rivastigmine (1) SDZ-212-713 SDZ-ENA-713
BDBM10750	Acetylcholinesterase Amine oxidase (flavin-containing) A Amine oxidase [flavin-containing] B Butyrylcholinesterase (BChE) Cholinesterase Monoamine Oxidase Type B (MAO-B) Monoamine oxidase	2	19	0	0	0	0	0	0	(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
BDBM108118	Coagulation factor X Coagulation factor XI Complement C1s Plasma kallikrein Plasminogen Transcription initiation factor IIA Vitamin K-dependent protein C	8	0	0	0	0	0	0	0	US8598206, Table 6, 1
BDBM10826	Acetylcholinesterase Amine oxidase (flavin-containing) A Amine oxidase [flavin-containing] B Butyrylcholinesterase (BChE) Cholinesterase Monoamine Oxidase Type B (MAO-B) Monoamine oxidase	0	13	0	0	0	0	0	0	3-{2-[methyl(prop-2-yn-1-yl)amino]propyl}phenyl N-hexyl-N-methylcarbamate CHEMBL356385 Phenethylamine deriv. 53d
BDBM10909	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 Voltage-gated calcium channel subunit alpha Cav2.2	0	6	0	1	0	0	0	0	(2R)-2-({6-[benzyl(methyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}amino)butan-1-ol N6-methyl-(R)-roscovitine R-2-[6-(Benzyl-methyl-amino)-9-isopropyl-9H-purin-2-ylamino]-butan-1-ol
BDBM11034	Carbonic Anhydrase XIV Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 7 Carbonic anhydrase 9 Carbonic anhydrases; II & IX	7	0	0	0	0	0	0	0	1-pentafluorophenylamido-5-sulfonamidoindane 2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)benzamide CHEMBL205867 Indanesulfonamide Derivative 11c
BDBM112499	Calmodulin/Proto-oncogene tyrosine-protein kinase Src Epidermal growth factor receptor Proto-oncogene tyrosine-protein kinase Src Receptor protein-tyrosine kinase erbB-4 Receptor tyrosine-protein kinase erbB-2 Tyrosine-protein kinase JAK3 Tyrosine-protein kinase Lck	0	27	0	0	0	0	0	0	DACOMITINIB US8623883, No. 2
BDBM112780	5-hydroxytryptamine receptor 2B Adrenergic Alpha Bile salt export pump Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 Multidrug resistance-associated protein 4 Proto-oncogene tyrosine-protein kinase receptor Ret	1	7	0	0	0	0	0	0	US8629135, SW-07
BDBM113060	Cathepsin G Chymotrypsin Kallikrein 14 Kallikrein 5 Kallikrein 7 Prothrombin Trypsin-1	7	0	0	0	0	0	0	0	US9695194, 1
BDBM113065	Cathepsin G Chymotrypsin Kallikrein 14 Kallikrein 5 Kallikrein 7 Prothrombin Trypsin-1	7	0	0	0	0	0	0	0	US9695194, 2
BDBM113067	Cathepsin G Chymotrypsin Kallikrein 14 Kallikrein 5 Kallikrein 7 Prothrombin Trypsin-1	7	0	0	0	0	0	0	0	US9695194, 3
BDBM113068	Cathepsin G Chymotrypsin Kallikrein 14 Kallikrein 5 Kallikrein 7 Prothrombin Trypsin-1	7	0	0	0	0	0	0	0	US9695194, 4
BDBM113069	Cathepsin G Chymotrypsin Kallikrein 14 Kallikrein 5 Kallikrein 7 Prothrombin Trypsin-1	7	3	0	0	0	0	0	0	US9695194, 5
BDBM113119	Cathepsin G Chymotrypsin Kallikrein 14 Kallikrein 5 Kallikrein 7 Prothrombin Trypsin-1	7	0	0	0	0	0	0	0	US9695194, 6
BDBM113248	Cathepsin G Chymotrypsin Kallikrein 14 Kallikrein 5 Kallikrein 7 Prothrombin Trypsin-1	7	0	0	0	0	0	0	0	US9695194, 7
BDBM113283	Cathepsin G Chymotrypsin Kallikrein 14 Kallikrein 5 Kallikrein 7 Prothrombin Trypsin-1	7	0	0	0	0	0	0	0	US9695194, 8
BDBM113292	Cathepsin G Chymotrypsin Kallikrein 14 Kallikrein 5 Kallikrein 7 Prothrombin Trypsin-1	7	0	0	0	0	0	0	0	US9695194, 9
BDBM113293	Cathepsin G Chymotrypsin Kallikrein 14 Kallikrein 5 Kallikrein 7 Prothrombin Trypsin-1	7	0	0	0	0	0	0	0	US9695194, 10
BDBM113294	Cathepsin G Chymotrypsin Kallikrein 14 Kallikrein 5 Kallikrein 7 Prothrombin Trypsin-1	7	0	0	0	0	0	0	0	US9695194, 11
BDBM113295	Cathepsin G Chymotrypsin Kallikrein 14 Kallikrein 5 Kallikrein 7 Prothrombin Trypsin-1	7	0	0	0	0	0	0	0	US9695194, 12
BDBM113296	Cathepsin G Chymotrypsin Kallikrein 14 Kallikrein 5 Kallikrein 7 Prothrombin Trypsin-1	7	0	0	0	0	0	0	0	US9695194, 13
BDBM113297	Cathepsin G Chymotrypsin Kallikrein 14 Kallikrein 5 Kallikrein 7 Prothrombin Trypsin-1	7	0	0	0	0	0	0	0	US9695194, 14
BDBM113299	Cathepsin G Chymotrypsin Kallikrein 14 Kallikrein 5 Kallikrein 7 Prothrombin Trypsin-1	7	0	0	0	0	0	0	0	US9695194, 15
BDBM113300	Cathepsin G Chymotrypsin Kallikrein 14 Kallikrein 5 Kallikrein 7 Prothrombin Trypsin-1	7	0	0	0	0	0	0	0	US9695194, 16
BDBM113301	Cathepsin G Chymotrypsin Kallikrein 14 Kallikrein 5 Kallikrein 7 Prothrombin Trypsin-1	7	0	0	0	0	0	0	0	US9695194, 17
BDBM11605	β-Carbonic anhydrase 2 (CA 2) β-Carbonic anhydrase 3 (CA 3) Carbonic Anhydrase (mtCA 1) Carbonic Anhydrase IV Carbonic anhydrase 1 Carbonic anhydrase 2 Carbonic anhydrase 9	7	0	0	0	0	0	0	0	β-CA inhibitor, 4 4-Amino-5-chloro-3-fluorobenzenesulfonamide 4-amino-3-chloro-5-fluorobenzene-1-sulfonamide halogenosulfanilamide deriv. 6
BDBM11606	β-Carbonic anhydrase 2 (CA 2) β-Carbonic anhydrase 3 (CA 3) Carbonic Anhydrase (mtCA 1) Carbonic Anhydrase IV Carbonic anhydrase 1 Carbonic anhydrase 2 Carbonic anhydrase 9	7	0	0	0	0	0	0	0	β-CA inhibitor, 5 4-Amino-5-bromo-3-fluorobenzenesulfonamide 4-amino-3-bromo-5-fluorobenzene-1-sulfonamide halogenosulfanilamide deriv. 7
BDBM11608	β-Carbonic anhydrase 2 (CA 2) β-Carbonic anhydrase 3 (CA 3) Carbonic Anhydrase (mtCA 1) Carbonic Anhydrase IV Carbonic anhydrase 1 Carbonic anhydrase 2 Carbonic anhydrase 9	7	0	0	0	0	0	0	0	β-CA inhibitor, 7 4-Amino-3,5-dichlorobenzenesulfonamide 4-amino-3,5-dichlorobenzene-1-sulfonamide halogenosulfanilamide deriv. 9
BDBM11609	β-Carbonic anhydrase 2 (CA 2) β-Carbonic anhydrase 3 (CA 3) Carbonic Anhydrase (mtCA 1) Carbonic Anhydrase IV Carbonic anhydrase 1 Carbonic anhydrase 2 Carbonic anhydrase 9	7	0	0	0	0	0	0	0	β-CA inhibitor, 8 4-Amino-5-bromo-3-chlorobenzenesulfonamide 4-amino-3-bromo-5-chlorobenzene-1-sulfonamide halogenosulfanilamide deriv. 10
BDBM11610	β-Carbonic anhydrase 2 (CA 2) β-Carbonic anhydrase 3 (CA 3) Carbonic Anhydrase (mtCA 1) Carbonic Anhydrase IV Carbonic anhydrase 1 Carbonic anhydrase 2 Carbonic anhydrase 9	7	0	0	0	0	0	0	0	β-CA inhibitor, 9 4-Amino-3-chloro-5-iodobenzenesulfonamide 4-amino-3-chloro-5-iodobenzene-1-sulfonamide halogenosulfanilamide deriv. 11
BDBM11622	β-Carbonic anhydrase 2 (CA 2) β-Carbonic anhydrase 3 (CA 3) Carbonic Anhydrase (mtCA 1) Carbonic Anhydrase IV Carbonic anhydrase 1 Carbonic anhydrase 2 Carbonic anhydrase 9	7	0	0	0	0	0	0	0	β-CA inhibitor, 1 2-N-(4-amino-3-chlorobenzene)-1,3,4-thiadiazole-2,5-disulfonamide 5-(4-Amino-3-chlorobenzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide aminobenzolamide 17c
BDBM11626	β-Carbonic anhydrase 2 (CA 2) β-Carbonic anhydrase 3 (CA 3) Carbonic Anhydrase (mtCA 1) Carbonic Anhydrase IV Carbonic anhydrase 1 Carbonic anhydrase 2 Carbonic anhydrase 9	7	0	0	0	0	0	0	0	β-CA inhibitor, 2 2-N-(4-amino-3-bromo-5-fluorobenzene)-1,3,4-thiadiazole-2,5-disulfonamide 5-{[(4-amino-3-bromo-5-fluorophenyl)sulfonyl]amino}-1,3,4-thiadiazole-2-sulfonamide aminobenzolamide 19
BDBM11627	β-Carbonic anhydrase 2 (CA 2) β-Carbonic anhydrase 3 (CA 3) Carbonic Anhydrase (mtCA 1) Carbonic Anhydrase IV Carbonic anhydrase 1 Carbonic anhydrase 2 Carbonic anhydrase 9	7	0	0	0	0	0	0	0	β-CA inhibitor, 3 2-N-(4-amino-3-fluoro-5-iodobenzene)-1,3,4-thiadiazole-2,5-disulfonamide 5-{[(4-amino-3-fluoro-5-iodophenyl)sulfonyl]amino}-1,3,4-thiadiazole-2-sulfonamide aminobenzolamide 20
BDBM11635	Astrosclerin-3 Carbonic Anhydrase III Carbonic Anhydrase IV Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 9	32	0	0	0	0

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