Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50005824'   

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)	BDBM50005824 (CHEMBL288037 | [1-[(Acetyl-phenethyl-amino)-methyl...) Show SMILES CC(=O)N(CCc1ccccc1)CC(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:34.42,30.33,wD:32.34,36.38,TLB:28:29:35:32.37.33,THB:31:30:35:32.37.33,31:32:35:29.30.38,(15.35,-10.75,;14.04,-9.98,;12.69,-10.73,;14.04,-8.44,;15.51,-7.99,;16.64,-9.03,;18.11,-8.58,;18.46,-7.09,;19.91,-6.64,;21.06,-7.68,;20.71,-9.19,;19.24,-9.64,;13.17,-7.17,;11.66,-7.29,;12.42,-8.61,;10.41,-6.39,;10.57,-4.85,;9.42,-3.83,;10.02,-2.42,;11.57,-2.57,;12.69,-1.52,;14.17,-1.99,;14.49,-3.51,;13.35,-4.54,;11.89,-4.08,;10.88,-8.6,;9.34,-8.58,;8.58,-7.23,;8.55,-9.9,;7.01,-9.86,;7.01,-11.41,;5.98,-12.68,;4.59,-12.11,;3.09,-12.53,;4.28,-11.24,;4.28,-9.77,;5.63,-9.29,;4.57,-10.53,;5.6,-11.75,)| Show InChI InChI=1S/C33H41N3O3/c1-22(37)36(13-12-23-8-4-3-5-9-23)21-33(2,19-28-20-34-30-11-7-6-10-29(28)30)35-32(38)39-31-26-15-24-14-25(17-26)18-27(31)16-24/h3-11,20,24-27,31,34H,12-19,21H2,1-2H3,(H,35,38)/t24-,25+,26-,27+,31?,33?	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Neuroscience Research Center Curated by ChEMBL					Assay Description Inhibition of [125I]CCK-8 binding to cholecystokinin type B receptor in the mouse cerebral cortex				J Med Chem 35: 1472-84 (1992) BindingDB Entry DOI: 10.7270/Q2H41S3W
					More data for this Ligand-Target Pair