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Compounds Sorted by Binding Data per Compound

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85   86   87   88   89   90   91   92   93   94   95   96   97   98   99   100   101   102   103   104   105   
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444   445   446   447   448   451   453   454   455   457   458   460   463   465   467   473   477   478   482   484   499   
504   505   506   517   525   543   549   551   554   591   606   663   691   708   796   804   821   825   833   842   847   
854   855   861   873   879   883   887   913   914   925   926   938   947   1010   1027   1050   1052   1081   1082   1102   1115   
1130   1133   1206   1262   1543   1639   1903   2029   

Compounds Sorted Alphabetically

Compound Name (alphabetical)	Enz. Inhib. Data							ITC Data	Binding Targets	Alternate Compound Names
	Ki	IC50	Kd	EC50	Koff	Kon	Other
BDBM12342	55	16	0	0	0	0	0	0	Acetylcholinesterase Aldose reductase (AR) Beta-secretase 1 Bile salt export pump Carbonic Anhydrase III Carbonic Anhydrase VA Carbonic Anhydrase VB Carbonic Anhydrase XIII 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 Dihydroorotate dehydrogenase (fumarate) Exportin-1 Glyceraldehyde-3-phosphate dehydrogenase liver Glyceraldehyde-3-phosphate dehydrogenase, glycosomal Monoamine Oxidase Type B (MAO-B) Monoamine oxidase Sorbitol dehydrogenase Uridine-5'-diphosphoglucuronosyltransferase 1A1 Uridine-5'-diphosphoglucuronosyltransferase 1A4 Uridine-5'-diphosphoglucuronosyltransferase 1A6 Uridine-5'-diphosphoglucuronosyltransferase 2B10 Uridine-5'-diphosphoglucuronosyltransferase 2B7 Zn finger protein	2H-chromen-2-one CHEMBL6466 Coumarin
BDBM14363	11	41	0	19	0	0	0	0	3',5'-cyclic phosphodiesterase Alkaline phosphatase placental-like Alkaline phosphatase tissue-nonspecific Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C G protein-coupled receptor GPR35 G-protein coupled receptor 35 Heart phosphodiesterase Homo sapiens phosphodiesterase 2A (PDE2A) Phosphodiesterase 1 Phosphodiesterase 11A (PDE11A) Phosphodiesterase 2A Phosphodiesterase 3 Phosphodiesterase 3A Phosphodiesterase 4A Phosphodiesterase 5A Phosphodiesterase 6 Phosphodiesterase 9A cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A cAMP-specific 3',5'-cyclic phosphodiesterase 4A cAMP-specific 3',5'-cyclic phosphodiesterase 4B cAMP-specific 3',5'-cyclic phosphodiesterase 4D cGMP-specific 3',5'-cyclic phosphodiesterase	3-(2-propoxyphenyl)-2,4,7,8,9-pentazabicyclo[4.3.0]nona-1,3,6-trien-5-one 5-(2-propoxyphenyl)-2H,3H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Tocris-0947 ZAPRINAST Zaprinast
BDBM31774	7	52	10	2	0	0	0	0	14-alpha sterol demethylase 14-alpha sterol demethylase Cyp51A Alpha-chymotrypsin Beta-2 adrenergic receptor Beta-lactamase AmpC Bile acid receptor Bile salt export pump C-C chemokine receptor type 4 (CCR4) C-X-C chemokine receptor type 1 Calcium channel (Type L) Cytochrome P450 121 Cytochrome P450 125 (CYP125) Cytochrome P450 130 Cytochrome P450 130 (G243A) Cytochrome P450 142 (CYP142) Cytochrome P450 144 (CYP144) Cytochrome P450 17A1 Cytochrome P450 19A1 Cytochrome P450 1A Cytochrome P450 2C19 Cytochrome P450 2C8 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 3A Heme Oxygenase 1 (HO-1) Heme Oxygenase 2 (HO-2) Histidine-rich protein Indoleamine 2,3-dioxygenase 1 Indoleamine 2,3-dioxygenase 2 Intermediate conductance calcium-activated potassium channel protein 4 Lanosterol 14-alpha demethylase Malate dehydrogenase cytoplasmic Nuclear receptor subfamily 1 group I member 3 P-glycoprotein (P-gp) P-glycoprotein 1 P-glycoprotein 1 and 3 (MDR1a/MDR1b) Potassium voltage-gated channel subfamily H member 2 Potassium-transporting ATPase Sarcoplasmic/endoplasmic reticulum calcium ATP-ase Solute carrier family 22 member 1 Sterol 14α-demethylase (CYP51) Transitional endoplasmic reticulum ATPase Vasopressin V2 receptor Voltage-dependent L-type calcium channel subunit alpha-1C Voltage-gated potassium channel streptokinase A precursor	CHEMBL104 Canesten Clotrimazole Lotrimin Mycelex US9138393, Clotrimazole cid_2812
BDBM50057511	70	1	0	0	0	0	0	0	PKC alpha and beta-2 Protein kinase C (PKC) Protein kinase C alpha type Protein kinase C delta Protein kinase C delta type Protein kinase C theta type Protein kinase C, PKC; classical/novel Protein kinase C, epsilon Protein kinase C, eta Protein kinase C, gamma RAS guanyl releasing protein 1	(+/-)-indolactum-V 13-Hydroxymethyl-10-isopropyl-9-methyl-3,9,12-triaza-tricyclo[6.6.1.0*4,15*]pentadeca-1,4,6,8(15)-tetraen-11-one (-)-indolactam V (10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-3,9,12-triaza-tricyclo[6.6.1.0*4,15*]pentadeca-1,4(15),5,7-tetraen-11-one (10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-3,9,12-triaza-tricyclo[6.6.1.0*4,15*]pentadeca-1,4,6,8(15)-tetraen-11-one (2S,5S)-5-(hydroxymethyl)-2-isopropyl-1-methyl-1,2,5,6-tetrahydro-4H-[1,4]diazonino[7,6,5-cd]indol-3(8H)-one (S)-13-Hydroxymethyl-10-isopropyl-9-(S)-methyl-3,9,12-triaza-tricyclo[6.6.1.0*4,15*]pentadeca-1,4,6,8(15)-tetraen-11-one 13-Hydroxymethyl-10-isopropyl-9-methyl-3,9,12-triaza-tricyclo[6.6.1.0*4,15*]pentadeca-1,4(15),5,7-tetraen-11-one 13-Hydroxymethyl-10-isopropyl-9-methyl-3,9,12-triaza-tricyclo[6.6.1.0*4,15*]pentadeca-1,4,6,8(15)-tetraen-11-one(ILV) CHEMBL27266 INDOLACTUM indolactam-V
BDBM50180786	0	71	0	0	0	0	0	0	Gonadotropin releasing hormone 1 (GnRHR1)	CHEMBL436874 pGlu-His-Trp-Ser-His-D-Tyr-Leu-Arg-Pro-Gly-NH2
BDBM50180787	0	71	0	0	0	0	0	0	Gonadotropin releasing hormone 1 (GnRHR1)	(S)-N,N-diisobutyl-2-(2-(4-methoxy-3,5-dimethylphenyl)-3-(1-(phenethylamino)propan-2-yl)-1H-indol-5-yl)-2-methylpropanamide CHEMBL371722
BDBM50180788	0	71	0	0	0	0	0	0	Gonadotropin releasing hormone 1 (GnRHR1)	CHEMBL265775 pGlu-His-Trp-Ser-Tyr-Gly-Leu-Arg-Pro-Gly-NH2
BDBM50217942	43	26	0	2	0	0	0	0	5-hydroxytryptamine receptor 1A 5-hydroxytryptamine receptor 1D 5-hydroxytryptamine receptor 3A 5-hydroxytryptamine receptor 5A 5-hydroxytryptamine receptor 6 5-hydroxytryptamine receptor 7 Acetylcholinesterase Adrenergic alpha1B Aldose reductase Alpha-1A adrenergic receptor Alpha-2A adrenergic receptor Alpha-2B adrenergic receptor Alpha-2C adrenergic receptor Alpha-chymotrypsin Axin-1/Glycogen synthase kinase-3 beta Beta-1 adrenergic receptor Beta-2 adrenergic receptor Beta-lactamase Cholinesterases Cytochrome P450 3A D(1A) dopamine receptor D(1B) dopamine receptor D(2) dopamine receptor D(3) dopamine receptor Dihydroorotate dehydrogenase (fumarate) Dopamine receptor EBifunctional epoxide hydrolase 2 Gamma-aminobutyric acid receptor subunit alpha-1 Genome polyprotein Glutamate receptor ionotropic, NMDA 1 Histamine H1 receptor Kappa-type opioid receptor L-lactate dehydrogenase A chain Lysine-specific histone demethylase 1A Mitogen-activated protein kinase 14 Mu-type opioid receptor Muscarinic acetylcholine receptor M1 Muscarinic acetylcholine receptor M2 Muscarinic acetylcholine receptor M3 Muscarinic acetylcholine receptor M4 Muscarinic acetylcholine receptor M5 Neuraminidase Neuromedin-U receptor 2 OPRD1 SLC6A3 Serotonin receptor 2a and 2c (5HT2A and 5HT2C) Serum albumin Sialidase Sodium-dependent noradrenaline transporter Sodium-dependent serotonin transporter Trypsin Tyrosinase Vasopressin V1b receptor Vasopressin V2 receptor Xanthine dehydrogenase/oxidase	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside 3-Rhamnoglucosylquercetin 3-Rutinosyl quercetin CHEMBL226335 cid_5280805 rutin
BDBM50310000	0	71	0	0	0	0	0	0	Acetylcholinesterase Alpha-2A adrenergic receptor C-X-C chemokine receptor type 4 Cannabinoid receptor 1 Cannabinoid receptor 2 Cytochrome P450 2D6 Cytochrome P450 3A Mu-type opioid receptor Muscarinic acetylcholine receptor Nicotinic acetylcholine receptor alpha-1/beta-1 Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon	4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl)-N-(1-(4-bromophenyl)ethyl)-1-(2-chlorophenyl)-1H-pyrazole-3-carboxamide CHEMBL598769
BDBM50334788	8	63	0	0	0	0	0	0	3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase 3-beta-hydroxysteroid dehydrogenase/delta 5-->4-isomerase type I 5α-Reductase 1 (5α-R1) Androgen receptor Bile salt export pump Bile salt export pump (BSEP) Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 Multidrug resistance-associated protein 4 Steroid 5-alpha-reductase	(17beta-(N-tert-butylcarbamoyl)-4-aza-5alpha-androst-1-en-3-one (4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid tert-butylamide (4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-tert-butyl-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide (4aR,4bS,6aS,9aS,9bS,11aR)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid tert-butylamide (4aR,6aS)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid tert-butylamide (4aR,6aS,11aR)-4a,6a-Dimethyl-2-oxo-hexadecahydro-indeno[5,4-f]quinoline-7-carboxylic acid tert-butylamide (4aR,6aS,7S)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid tert-butylamide (4aR,6aS,7S,11aR)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid tert-butylamide (R)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid tert-butylamide 4a,6a,9a-Trimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid (Finasteride) 4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid tert-butylamide 4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid tert-butylamide(Finasteride) CHEMBL710 FINASTERIDE MK-906 Propecia Proscar US9061023, Finasteride
BDBM50403547	59	5	7	0	0	0	0	0	5-hydroxytryptamine receptor 1A Acetylcholinesterase Adrenergic Alpha Bile salt export pump CHRM5 Muscarinic acetylcholine receptor Muscarinic acetylcholine receptor M1 Muscarinic acetylcholine receptor M1 and M3 Muscarinic acetylcholine receptor M2 Muscarinic acetylcholine receptor M2 and M4 Muscarinic acetylcholine receptor M2 and M5 Muscarinic acetylcholine receptor M3 Muscarinic acetylcholine receptor M4 Muscarinic acetylcholine receptor M5	ATROPEN ATROPINE