BDBM50037853 CHEMBL334305::{(3R,5R)-3-[3-(3-Chloro-phenyl)-ureido]-8-methyl-2-oxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl}-acetic acid tert-butyl ester

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

InChI Key: InChIKey=JJAYAAFBSRHMID-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 = 50037853   

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
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50037853 (CHEMBL334305 | {(3R,5R)-3-[3-(3-Chloro-phenyl)-ure...) Show SMILES Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N(CC(=O)OC(C)(C)C)c2c1)c1ccccc1 Show InChI InChI=1S/C30H32ClN3O4/c1-19-13-14-23-24(20-9-6-5-7-10-20)17-25(33-29(37)32-22-12-8-11-21(31)16-22)28(36)34(26(23)15-19)18-27(35)38-30(2,3)4/h5-16,24-25H,17-18H2,1-4H3,(H2,32,33,37)/t24-,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]-BH-CCK-8 as radioligand				J Med Chem 37: 3789-811 (1994) BindingDB Entry DOI: 10.7270/Q2KK99TN
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Cavia porcellus)	BDBM50037853 (CHEMBL334305 | {(3R,5R)-3-[3-(3-Chloro-phenyl)-ure...) Show SMILES Cc1ccc2[C@H](C[C@@H](NC(=O)Nc3cccc(Cl)c3)C(=O)N(CC(=O)OC(C)(C)C)c2c1)c1ccccc1 Show InChI InChI=1S/C30H32ClN3O4/c1-19-13-14-23-24(20-9-6-5-7-10-20)17-25(33-29(37)32-22-12-8-11-21(31)16-22)28(36)34(26(23)15-19)18-27(35)38-30(2,3)4/h5-16,24-25H,17-18H2,1-4H3,(H2,32,33,37)/t24-,25-/m1/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro binding affinity for the cholecystokinin type A receptor in guinea pig pancreas assayed using [125I]-BH-CCK-8 as radioligand				J Med Chem 37: 3789-811 (1994) BindingDB Entry DOI: 10.7270/Q2KK99TN
					More data for this Ligand-Target Pair