BDBM50291423 (S)-3-{(1R,2S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-1-cyano-hexylamino}-N-((S)-1-carbamoyl-2-phenyl-ethyl)-succinamic acid::CHEMBL354632

SMILES: CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)[C@@H](N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C#N

InChI Key: InChIKey=FBZCAKIEGLXVBD-IIZANFQQSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50291423   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
CCKBR (RAT)	BDBM50291423 ((S)-3-{(1R,2S)-2-[(S)-2-tert-Butoxycarbonylamino-3...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)[C@@H](N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C#N Show InChI InChI=1S/C36H47N7O7/c1-5-6-15-26(30(20-37)40-29(19-31(44)45)34(48)42-27(32(38)46)17-22-12-8-7-9-13-22)41-33(47)28(43-35(49)50-36(2,3)4)18-23-21-39-25-16-11-10-14-24(23)25/h7-14,16,21,26-30,39-40H,5-6,15,17-19H2,1-4H3,(H2,38,46)(H,41,47)(H,42,48)(H,43,49)(H,44,45)/t26-,27-,28-,29-,30-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of specific [3H]propionyl-CCK-8 binding to rat cerebral cortex membrane Cholecystokinin type B receptor				Bioorg Med Chem Lett 7: 855-860 (1997) Article DOI: 10.1016/S0960-894X(97)00107-8 BindingDB Entry DOI: 10.7270/Q218370Q
					More data for this Ligand-Target Pair
Cholecystokinin receptor (RAT)	BDBM50291423 ((S)-3-{(1R,2S)-2-[(S)-2-tert-Butoxycarbonylamino-3...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)[C@@H](N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C#N Show InChI InChI=1S/C36H47N7O7/c1-5-6-15-26(30(20-37)40-29(19-31(44)45)34(48)42-27(32(38)46)17-22-12-8-7-9-13-22)41-33(47)28(43-35(49)50-36(2,3)4)18-23-21-39-25-16-11-10-14-24(23)25/h7-14,16,21,26-30,39-40H,5-6,15,17-19H2,1-4H3,(H2,38,46)(H,41,47)(H,42,48)(H,43,49)(H,44,45)/t26-,27-,28-,29-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of specific [3H]propionyl-CCK-8 binding to rat pancreas membrane Cholecystokinin type A receptor				Bioorg Med Chem Lett 7: 855-860 (1997) Article DOI: 10.1016/S0960-894X(97)00107-8 BindingDB Entry DOI: 10.7270/Q218370Q
					More data for this Ligand-Target Pair