Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50043546'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	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
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