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Compounds Sorted by Binding Data per Compound

1   2   3   4   5   6   7   8   9   10   11   12   13   14   15   16   17   18   19   20   21   
22   23   24   25   26   27   28   29   30   31   32   33   34   35   36   37   38   39   40   41   42   
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64   65   66   67   68   69   70   71   72   73   74   75   76   77   78   79   80   81   82   83   84   
85   86   87   88   89   90   91   92   93   94   95   96   97   98   99   100   101   102   103   104   105   
106   107   108   109   110   111   112   113   114   115   116   117   118   119   120   121   122   123   124   125   127   
128   129   130   132   133   134   135   136   137   138   139   140   141   143   144   145   146   147   148   149   150   
151   153   154   155   156   159   160   161   163   164   165   168   170   171   173   174   176   178   179   183   184   
186   188   189   190   191   192   193   196   198   199   200   203   205   206   207   208   209   210   216   220   224   
226   227   230   232   237   238   241   243   248   252   253   259   261   270   274   276   277   285   291   303   304   
313   318   323   325   328   333   335   337   339   341   353   360   361   365   389   393   398   401   413   433   442   
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
BDBM25351	1	67	0	0	0	0	0	0	C-C chemokine receptor type 1 Gag-Pol polyprotein Human immunodeficiency virus type 1 integrase Human immunodeficiency virus type 1 reverse transcriptase Integrase Potassium voltage-gated channel subfamily H member 2 Reverse transcriptase Sodium channel protein type 5 subunit alpha Uridine-5'-diphosphoglucuronosyltransferase 1A1 Voltage-gated L-type calcium channel Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1 Voltage-gated potassium channel subunit Kv4.3	N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide Raltegravir
BDBM50001450	29	25	0	14	0	0	0	0	Adenosine receptor BHE Mas-related G protein-coupled receptor X2 (MRGPRX2) Neurokinin 1 receptor Neurokinin 2 receptor Neurokinin 3 receptor Neuromedin-K receptor Prothrombin Substance K Substance P TACR2 TACR3	(SP)Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2 Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met NH2 Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2 Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2(Substance P) Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2.(Substance P) Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-amine ArgProLysProGlnGlnPhePheGlyLeuMet CHEMBL235363 H-Arg-Pro-Lys-Pro-Gln-Gln-Phe-D-Phe-Gly-Leu-Met-NH2 H-Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2(Substance P) Substance P Substance P (Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-MetNH2) Substance P analogue tachykinin substance P (SP)
BDBM50005463	26	41	1	0	0	0	0	0	Bile salt export pump CCKBR Cholecystokinin Cholecystokinin A receptor Cholecystokinin B Cholecystokinin receptor GABA A Benzodiazepine Opioid receptor	(R)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide: 0.1C4H10O (S)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide (S)-N-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-1H-indole-2-carboxamide (Z)-N-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-1H-indole-2-carboxamide 1H-Indole-2-carboxylic acid ((S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide 1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide 1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide (L-364,718 ((S)-devazepide) 1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide (MK-329, L-364,718) 1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide(Devazepide or (R) L364718) 1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide(L-364718) 1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide(devazepide) 1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide: 0.1C4H10O. 0.15CH2Cl2 CCK antagonist synthetic 17 CCK antagonist synthetic 18 CHEMBL9506 DEVAZEPIDE L-364,718 L-364718 MK-329
BDBM50027065	65	3	0	0	0	0	0	0	5-HT5 5-HT5B 5-hydroxytryptamine receptor 1A 5-hydroxytryptamine receptor 1B 5-hydroxytryptamine receptor 1D 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2B 5-hydroxytryptamine receptor 2C 5-hydroxytryptamine receptor 5A 5-hydroxytryptamine receptor 7 (5HT7) Adenylate cyclase Alpha-1A adrenergic receptor Beta-2 adrenergic receptor Cholecystokinin receptor D(2) dopamine receptor DRD1 HTR1D HTR1E HTR1F HTR5A HTR6 HTR7 P-glycoprotein 1 P-glycoprotein 1 and 3 (MDR1a/MDR1b) Serotonin (5-HT) receptor Serotonin 1B/1D receptor Serotonin receptor 2a and 2c (5HT2A and 5HT2C) adrenergic Alpha2	(5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione (5'alpha)-5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman 12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergotaman-3',6',18-trione ERGOTAMINE Ergotamin
BDBM50067678	18	25	1	24	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 C3 Androgen Receptor Androgen receptor Bile salt export pump Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 Glucocorticoid receptor Mineralocorticoid receptor Multidrug resistance-associated protein 4 Progesterone receptor Testis-specific androgen-binding protein	(6alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-dione (6alpha)-6-methyl-3,20-dioxopregn-4-en-17-yl acetate 17-Acetoxy-6alpha-methylprogesterone 17alpha-Hydroxy-6alpha-methylprogesterone acetate 6-alpha-Methyl-17-alpha-acetoxyprogesterone 6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate 6alpha-Methyl-17-acetoxy progesterone 6alpha-Methyl-17alpha-hydroxyprogesterone acetate 6alpha-Methyl-4-pregnene-3,20-dion-17alpha-ol acetate MEDROXYPROGESTERONE Medroxyacetate progesterone Medroxyprogesterone 17-acetate Methylacetoxyprogesterone Metigestrona US9271961, MPA medroxyprogesterone acetate
BDBM50110183	11	57	0	0	0	0	0	0	1,3-beta-glucan synthase component GLS2 CDK2/CycE CDK4/CDK1 CDK4/Cyclin D3 CDK6/CycD3 CDK6/cyclin D1 CDK7/Cyclin H/MNAT1 CaM kinase I alpha Cyclin-Dependent Kinase 1 (CDK1) Cyclin-Dependent Kinase 2 (CDK2) Cyclin-Dependent Kinase 4 (CDK4) Cyclin-Dependent Kinase 5 (CDK5) Cyclin-Dependent Kinase 9 (CDK9) Cyclin-K Cyclin-dependent kinase 1 Cyclin-dependent kinase 1/ G1/S-specific cyclin-D3 Cyclin-dependent kinase 2 Cyclin-dependent kinase 4 Cyclin-dependent kinase 4/G1/S-specific cyclin-E1 Cyclin-dependent kinase 6 Cyclin-dependent kinase 7 Cyclin-dependent kinase 9 Cyclin-dependent-like kinase 5 Dual-specificity tyrosine-phosphorylation regulated kinase 1A Homeodomain-interacting protein kinase 1 Protein cereblon/Cyclin-dependent kinase 2 Replicase polyprotein 1ab Serine/threonine-protein kinase pim-1	ABEMACICLIB Abemaciclib LY-2835219 US10662186, Compound LY2835219 US10696678, Example LY2835219
BDBM50205990	22	6	2	38	0	0	0	0	Bile salt export pump Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 Multidrug resistance-associated protein 4 Oxytocin receptor Vasopressin V1a receptor Vasopressin V1b receptor Vasopressin V2 Receptor Vasopressin V2 receptor Vasopressin receptor	CHEMBL395429 OXYTOCIN