BDBM50037856 CHEMBL339547::N-tert-Butyl-2-{(3R,5R)-3-[3-(3-chloro-phenyl)-ureido]-5-isopropyl-8-methyl-2-oxo-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl}-acetamide

SMILES: CC(C)[C@H]1C[C@@H](NC(=O)Nc2cccc(Cl)c2)C(=O)N(CC(=O)NC(C)(C)C)c2cc(C)ccc12

InChI Key: InChIKey=JMFXHOKUYGTFJU-FGZHOGPDSA-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 = 50037856   

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))	BDBM50037856 (CHEMBL339547 | N-tert-Butyl-2-{(3R,5R)-3-[3-(3-chl...) Show SMILES CC(C)[C@H]1C[C@@H](NC(=O)Nc2cccc(Cl)c2)C(=O)N(CC(=O)NC(C)(C)C)c2cc(C)ccc12 Show InChI InChI=1S/C27H35ClN4O3/c1-16(2)21-14-22(30-26(35)29-19-9-7-8-18(28)13-19)25(34)32(15-24(33)31-27(4,5)6)23-12-17(3)10-11-20(21)23/h7-13,16,21-22H,14-15H2,1-6H3,(H,31,33)(H2,29,30,35)/t21-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40	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 A receptor (Cavia porcellus)	BDBM50037856 (CHEMBL339547 | N-tert-Butyl-2-{(3R,5R)-3-[3-(3-chl...) Show SMILES CC(C)[C@H]1C[C@@H](NC(=O)Nc2cccc(Cl)c2)C(=O)N(CC(=O)NC(C)(C)C)c2cc(C)ccc12 Show InChI InChI=1S/C27H35ClN4O3/c1-16(2)21-14-22(30-26(35)29-19-9-7-8-18(28)13-19)25(34)32(15-24(33)31-27(4,5)6)23-12-17(3)10-11-20(21)23/h7-13,16,21-22H,14-15H2,1-6H3,(H,31,33)(H2,29,30,35)/t21-,22-/m1/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	72	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