BDBM50285008 CHEMBL408490::N-tert-Butyl-2-{(3R,5R)-8-methyl-2-oxo-5-phenyl-3-[3-(3-trifluoromethanesulfonylaminocarbonyl-phenyl)-ureido]-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl}-acetamide

SMILES: Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(c3)C(=O)NS(=O)(=O)C(F)(F)F)C(=O)N(CC(=O)NC(C)(C)C)c2c1)c1ccccc1

InChI Key: InChIKey=MPQWSQLPSQOSKO-JWQCQUIFSA-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 = 50285008   

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))	BDBM50285008 (CHEMBL408490 | N-tert-Butyl-2-{(3R,5R)-8-methyl-2-...) Show SMILES Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(c3)C(=O)NS(=O)(=O)C(F)(F)F)C(=O)N(CC(=O)NC(C)(C)C)c2c1)c1ccccc1 Show InChI InChI=1S/C32H34F3N5O6S/c1-19-13-14-23-24(20-9-6-5-7-10-20)17-25(29(43)40(26(23)15-19)18-27(41)38-31(2,3)4)37-30(44)36-22-12-8-11-21(16-22)28(42)39-47(45,46)32(33,34)35/h5-16,24-25H,17-18H2,1-4H3,(H,38,41)(H,39,42)(H2,36,37,44)/t24-,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.10	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)	BDBM50285008 (CHEMBL408490 | N-tert-Butyl-2-{(3R,5R)-8-methyl-2-...) Show SMILES Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(c3)C(=O)NS(=O)(=O)C(F)(F)F)C(=O)N(CC(=O)NC(C)(C)C)c2c1)c1ccccc1 Show InChI InChI=1S/C32H34F3N5O6S/c1-19-13-14-23-24(20-9-6-5-7-10-20)17-25(29(43)40(26(23)15-19)18-27(41)38-31(2,3)4)37-30(44)36-22-12-8-11-21(16-22)28(42)39-47(45,46)32(33,34)35/h5-16,24-25H,17-18H2,1-4H3,(H,38,41)(H,39,42)(H2,36,37,44)/t24-,25-/m1/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	320	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