BDBM50037855 CHEMBL339515::N-tert-Butyl-2-{(3R,5R)-7-chloro-3-[3-(3-chloro-phenyl)-ureido]-2-oxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl}-acetamide

SMILES: CC(C)(C)NC(=O)CN1c2ccc(Cl)cc2[C@H](C[C@@H](NC(=O)Nc2cccc(Cl)c2)C1=O)c1ccccc1

InChI Key: InChIKey=ALPLVUYDOOIUAE-ISKFKSNPSA-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 = 50037855   

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))	BDBM50037855 (CHEMBL339515 | N-tert-Butyl-2-{(3R,5R)-7-chloro-3-...) Show SMILES CC(C)(C)NC(=O)CN1c2ccc(Cl)cc2[C@H](C[C@@H](NC(=O)Nc2cccc(Cl)c2)C1=O)c1ccccc1 Show InChI InChI=1S/C29H30Cl2N4O3/c1-29(2,3)34-26(36)17-35-25-13-12-20(31)15-23(25)22(18-8-5-4-6-9-18)16-24(27(35)37)33-28(38)32-21-11-7-10-19(30)14-21/h4-15,22,24H,16-17H2,1-3H3,(H,34,36)(H2,32,33,38)/t22-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	24	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)	BDBM50037855 (CHEMBL339515 | N-tert-Butyl-2-{(3R,5R)-7-chloro-3-...) Show SMILES CC(C)(C)NC(=O)CN1c2ccc(Cl)cc2[C@H](C[C@@H](NC(=O)Nc2cccc(Cl)c2)C1=O)c1ccccc1 Show InChI InChI=1S/C29H30Cl2N4O3/c1-29(2,3)34-26(36)17-35-25-13-12-20(31)15-23(25)22(18-8-5-4-6-9-18)16-24(27(35)37)33-28(38)32-21-11-7-10-19(30)14-21/h4-15,22,24H,16-17H2,1-3H3,(H,34,36)(H2,32,33,38)/t22-,24-/m1/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	287	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