Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50281746'   

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 (MOUSE)	BDBM50281746 (CHEMBL352817 | [1-(1H-Indol-3-ylmethyl)-1-phenethy...) Show SMILES O=C(CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1)NCCCc1ccccc1 |TLB:17:18:20:23.24.22,THB:25:26:20:23.24.22,25:23:20:18.26.27,22:21:18:23.25.24,22:23:18:21.20.27,(11.37,-14.95,;11.37,-13.41,;10.04,-12.63,;8.71,-13.41,;7.37,-12.63,;6.04,-13.41,;5.87,-14.95,;4.36,-15.28,;3.59,-13.94,;2.09,-13.62,;1.61,-12.17,;2.64,-11.02,;4.15,-11.34,;4.61,-12.8,;8.71,-14.95,;8.71,-16.49,;7.37,-17.26,;10.04,-17.26,;11.58,-17.26,;12.42,-15.99,;13.97,-15.48,;14.85,-16.73,;16.33,-17.19,;14.62,-17.61,;13.78,-16.47,;13.82,-18.85,;12.44,-18.5,;13.98,-18.05,;8.7,-11.86,;7.35,-11.09,;10.02,-11.07,;10.01,-9.52,;11.34,-8.74,;11.32,-7.2,;12.65,-6.41,;12.63,-4.89,;11.29,-4.12,;9.96,-4.92,;9.97,-6.45,;12.72,-12.63,;14.05,-13.41,;15.39,-12.63,;16.73,-13.41,;18.06,-12.63,;19.39,-13.41,;20.72,-12.65,;20.72,-11.09,;19.39,-10.32,;18.06,-11.11,)| Show InChI InChI=1S/C41H48N4O4/c46-37(42-18-9-14-28-10-3-1-4-11-28)26-41(25-34-27-44-36-16-8-7-15-35(34)36,39(47)43-19-17-29-12-5-2-6-13-29)45-40(48)49-38-32-21-30-20-31(23-32)24-33(38)22-30/h1-8,10-13,15-16,27,30-33,38,44H,9,14,17-26H2,(H,42,46)(H,43,47)(H,45,48)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]- Bolton-Hunter CCK-26-33 binding to Cholecystokinin type B receptor of mouse cerebral cortex				Bioorg Med Chem Lett 3: 889-894 (1993) Article DOI: 10.1016/S0960-894X(00)80687-3 BindingDB Entry DOI: 10.7270/Q28G8M63
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