BDBM50037850 CHEMBL339678::N-tert-Butyl-2-{(3R,5R)-3-[3-(3-chloro-phenyl)-ureido]-8-methyl-2-oxo-5-p-tolyl-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl}-acetamide

SMILES: Cc1ccc(cc1)[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=SJDGAPPCMGPKLY-CLJLJLNGSA-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 = 50037850   

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))	BDBM50037850 (CHEMBL339678 | N-tert-Butyl-2-{(3R,5R)-3-[3-(3-chl...) Show SMILES Cc1ccc(cc1)[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/C31H35ClN4O3/c1-19-9-12-21(13-10-19)25-17-26(34-30(39)33-23-8-6-7-22(32)16-23)29(38)36(18-28(37)35-31(3,4)5)27-15-20(2)11-14-24(25)27/h6-16,25-26H,17-18H2,1-5H3,(H,35,37)(H2,33,34,39)/t25-,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.70	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)	BDBM50037850 (CHEMBL339678 | N-tert-Butyl-2-{(3R,5R)-3-[3-(3-chl...) Show SMILES Cc1ccc(cc1)[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/C31H35ClN4O3/c1-19-9-12-21(13-10-19)25-17-26(34-30(39)33-23-8-6-7-22(32)16-23)29(38)36(18-28(37)35-31(3,4)5)27-15-20(2)11-14-24(25)27/h6-16,25-26H,17-18H2,1-5H3,(H,35,37)(H2,33,34,39)/t25-,26-/m1/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	417	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