Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50043577'   

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))	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
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