BDBM50037852 CHEMBL339260::N-tert-Butyl-2-[(3R,5R)-2-oxo-5-phenyl-3-(3-p-tolyl-ureido)-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl]-acetamide

SMILES: Cc1ccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)c3ccccc3N(CC(=O)NC(C)(C)C)C2=O)cc1

InChI Key: InChIKey=UXSCCYZDWXCQRW-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 = 50037852   

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))	BDBM50037852 (CHEMBL339260 | N-tert-Butyl-2-[(3R,5R)-2-oxo-5-phe...) Show SMILES Cc1ccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)c3ccccc3N(CC(=O)NC(C)(C)C)C2=O)cc1 Show InChI InChI=1S/C30H34N4O3/c1-20-14-16-22(17-15-20)31-29(37)32-25-18-24(21-10-6-5-7-11-21)23-12-8-9-13-26(23)34(28(25)36)19-27(35)33-30(2,3)4/h5-17,24-25H,18-19H2,1-4H3,(H,33,35)(H2,31,32,37)/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	35	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)	BDBM50037852 (CHEMBL339260 | N-tert-Butyl-2-[(3R,5R)-2-oxo-5-phe...) Show SMILES Cc1ccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)c3ccccc3N(CC(=O)NC(C)(C)C)C2=O)cc1 Show InChI InChI=1S/C30H34N4O3/c1-20-14-16-22(17-15-20)31-29(37)32-25-18-24(21-10-6-5-7-11-21)23-12-8-9-13-26(23)34(28(25)36)19-27(35)33-30(2,3)4/h5-17,24-25H,18-19H2,1-4H3,(H,33,35)(H2,31,32,37)/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	1.14E+3	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