BDBM50043546 1-(3-Methoxy-phenyl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-urea::CHEMBL137726

SMILES: COc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)c1

InChI Key: InChIKey=UOARATSGTNKNBO-UHFFFAOYSA-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 = 50043546   

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))	BDBM50043546 (1-(3-Methoxy-phenyl)-3-[2-oxo-1-(2-oxo-2-pyrrolidi...) Show SMILES COc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)c1 |t:12| Show InChI InChI=1S/C29H29N5O4/c1-38-22-13-9-12-21(18-22)30-29(37)32-27-28(36)34(19-25(35)33-16-7-8-17-33)24-15-6-5-14-23(24)26(31-27)20-10-3-2-4-11-20/h2-6,9-15,18,27H,7-8,16-17,19H2,1H3,(H2,30,32,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor				J Med Chem 36: 4276-92 (1994) BindingDB Entry DOI: 10.7270/Q22J6CH9
					More data for this Ligand-Target Pair
Cholecystokinin receptor (RAT)	BDBM50043546 (1-(3-Methoxy-phenyl)-3-[2-oxo-1-(2-oxo-2-pyrrolidi...) Show SMILES COc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)c1 |t:12| Show InChI InChI=1S/C29H29N5O4/c1-38-22-13-9-12-21(18-22)30-29(37)32-27-28(36)34(19-25(35)33-16-7-8-17-33)24-15-6-5-14-23(24)26(31-27)20-10-3-2-4-11-20/h2-6,9-15,18,27H,7-8,16-17,19H2,1H3,(H2,30,32,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding of [125I]CCK-8 to cholecystokinin type A receptor in rat pancreatic tissue				J Med Chem 36: 4276-92 (1994) BindingDB Entry DOI: 10.7270/Q22J6CH9
					More data for this Ligand-Target Pair