BDBM50283827 CHEMBL329286::N-tert-Butyl-2-{(3R,5S,7R)-3-[3-(4-methoxy-phenyl)-ureido]-2-oxo-7-phenyl-5-o-tolyl-azepan-1-yl}-acetamide

SMILES: COc1ccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)NC(C)(C)C)C2=O)c2ccccc2)c2ccccc2C)cc1

InChI Key: InChIKey=HBSCTWOGVRBGQM-TUMTZTIRSA-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 = 50283827   

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))	BDBM50283827 (CHEMBL329286 | N-tert-Butyl-2-{(3R,5S,7R)-3-[3-(4-...) Show SMILES COc1ccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)NC(C)(C)C)C2=O)c2ccccc2)c2ccccc2C)cc1 Show InChI InChI=1S/C33H40N4O4/c1-22-11-9-10-14-27(22)24-19-28(35-32(40)34-25-15-17-26(41-5)18-16-25)31(39)37(21-30(38)36-33(2,3)4)29(20-24)23-12-7-6-8-13-23/h6-18,24,28-29H,19-21H2,1-5H3,(H,36,38)(H2,34,35,40)/t24-,28+,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against cholecystokinin-B (CCK-B) receptor in cortex of male hartley guinea pig.				Bioorg Med Chem Lett 4: 2877-2882 (1994) Article DOI: 10.1016/S0960-894X(01)80832-5 BindingDB Entry DOI: 10.7270/Q24B318F
					More data for this Ligand-Target Pair
Cholecystokinin A receptor (Cavia porcellus)	BDBM50283827 (CHEMBL329286 | N-tert-Butyl-2-{(3R,5S,7R)-3-[3-(4-...) Show SMILES COc1ccc(NC(=O)N[C@@H]2C[C@@H](C[C@@H](N(CC(=O)NC(C)(C)C)C2=O)c2ccccc2)c2ccccc2C)cc1 Show InChI InChI=1S/C33H40N4O4/c1-22-11-9-10-14-27(22)24-19-28(35-32(40)34-25-15-17-26(41-5)18-16-25)31(39)37(21-30(38)36-33(2,3)4)29(20-24)23-12-7-6-8-13-23/h6-18,24,28-29H,19-21H2,1-5H3,(H,36,38)(H2,34,35,40)/t24-,28+,29+/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against cholecystokinin-A (CCK-A) receptor in pancreas of guinea pig.				Bioorg Med Chem Lett 4: 2877-2882 (1994) Article DOI: 10.1016/S0960-894X(01)80832-5 BindingDB Entry DOI: 10.7270/Q24B318F
					More data for this Ligand-Target Pair