BDBM50043577 1-[3-(1-Hydroxy-1-methyl-ethyl)-benzyl]-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-urea::CHEMBL422102

SMILES: CN1c2ccccc2C(=NC(NC(=O)NCc2cccc(c2)C(C)(C)O)C1=O)c1ccccc1

InChI Key: InChIKey=GOBVEHSYOKQBGJ-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 = 50043577   

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))	BDBM50043577 (1-[3-(1-Hydroxy-1-methyl-ethyl)-benzyl]-3-(1-methy...) Show SMILES CN1c2ccccc2C(=NC(NC(=O)NCc2cccc(c2)C(C)(C)O)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C27H28N4O3/c1-27(2,34)20-13-9-10-18(16-20)17-28-26(33)30-24-25(32)31(3)22-15-8-7-14-21(22)23(29-24)19-11-5-4-6-12-19/h4-16,24,34H,17H2,1-3H3,(H2,28,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.90	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 type A (RAT)	BDBM50043577 (1-[3-(1-Hydroxy-1-methyl-ethyl)-benzyl]-3-(1-methy...) Show SMILES CN1c2ccccc2C(=NC(NC(=O)NCc2cccc(c2)C(C)(C)O)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C27H28N4O3/c1-27(2,34)20-13-9-10-18(16-20)17-28-26(33)30-24-25(32)31(3)22-15-8-7-14-21(22)23(29-24)19-11-5-4-6-12-19/h4-16,24,34H,17H2,1-3H3,(H2,28,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	406	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