Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50450536'   

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))	BDBM50450536 (CHEMBL357983) Show SMILES [H][C@](CCC(O)=O)(NC(=O)Nc1ccccc1)C(=O)N(CC(=O)N(C(C)C)c1ccc(OC)cc1)c1ccccc1 Show InChI InChI=1S/C30H34N4O6/c1-21(2)34(24-14-16-25(40-3)17-15-24)27(35)20-33(23-12-8-5-9-13-23)29(38)26(18-19-28(36)37)32-30(39)31-22-10-6-4-7-11-22/h4-17,21,26H,18-20H2,1-3H3,(H,36,37)(H2,31,32,39)/t26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Products Ltd Curated by ChEMBL					Assay Description Tested for 50% displacement of [125I]CCK-8 from membrane preparation isolated from CHO-K1 cells stably transfected with the cDNA of human Cholecystok...				Bioorg Med Chem Lett 7: 429-32 (1997) Article DOI: 10.1016/S0960-894X(97)00062-0 BindingDB Entry DOI: 10.7270/Q2DJ5G4B
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