BDBM50285014 3-{3-[(3R,5R)-1-(tert-Butylcarbamoyl-methyl)-5-cyclohexyl-8-methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl]-ureido}-benzoic acid methyl ester::CHEMBL57643

SMILES: COC(=O)c1cccc(NC(=O)N[C@@H]2C[C@H](C3CCCCC3)c3ccc(C)cc3N(CC(=O)NC(C)(C)C)C2=O)c1

InChI Key: InChIKey=OGBLGSTXVFINII-CLJLJLNGSA-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 = 50285014   

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
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50285014 (3-{3-[(3R,5R)-1-(tert-Butylcarbamoyl-methyl)-5-cyc...) Show SMILES COC(=O)c1cccc(NC(=O)N[C@@H]2C[C@H](C3CCCCC3)c3ccc(C)cc3N(CC(=O)NC(C)(C)C)C2=O)c1 Show InChI InChI=1S/C32H42N4O5/c1-20-14-15-24-25(21-10-7-6-8-11-21)18-26(29(38)36(27(24)16-20)19-28(37)35-32(2,3)4)34-31(40)33-23-13-9-12-22(17-23)30(39)41-5/h9,12-17,21,25-26H,6-8,10-11,18-19H2,1-5H3,(H,35,37)(H2,33,34,40)/t25-,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding activity towards cholecystokinin-B (CCK-B) receptor in guinea pig cortex				Bioorg Med Chem Lett 5: 1933-1936 (1995) Article DOI: 10.1016/0960-894X(95)00327-P BindingDB Entry DOI: 10.7270/Q22Z15H2
					More data for this Ligand-Target Pair
Cholecystokinin A receptor (Cavia porcellus)	BDBM50285014 (3-{3-[(3R,5R)-1-(tert-Butylcarbamoyl-methyl)-5-cyc...) Show SMILES COC(=O)c1cccc(NC(=O)N[C@@H]2C[C@H](C3CCCCC3)c3ccc(C)cc3N(CC(=O)NC(C)(C)C)C2=O)c1 Show InChI InChI=1S/C32H42N4O5/c1-20-14-15-24-25(21-10-7-6-8-11-21)18-26(29(38)36(27(24)16-20)19-28(37)35-32(2,3)4)34-31(40)33-23-13-9-12-22(17-23)30(39)41-5/h9,12-17,21,25-26H,6-8,10-11,18-19H2,1-5H3,(H,35,37)(H2,33,34,40)/t25-,26-/m1/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding activity towards cholecystokinin-A (CCK-A) receptor in guinea pig pancreas				Bioorg Med Chem Lett 5: 1933-1936 (1995) Article DOI: 10.1016/0960-894X(95)00327-P BindingDB Entry DOI: 10.7270/Q22Z15H2
					More data for this Ligand-Target Pair