Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50455596'   

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)	BDBM50455596 (CHEMBL2112336) Show SMILES [H][C@](CNC(=O)[C@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)(NC(=O)C[S+]([O-])c1nc[nH]n1)c1ccccc1 |wU:1.36,wD:6.7,1.0,TLB:21:22:24:27.28.26,THB:26:25:22:27.29.28,26:27:22:25.24.31,29:30:24:27.28.26,29:27:24:22.30.31,(5.59,-7.16,;4.27,-7.93,;2.94,-8.7,;1.6,-7.94,;.28,-8.71,;.28,-10.24,;-1.05,-7.94,;-1.06,-9.47,;-1.04,-6.39,;-1.93,-5.12,;-3.45,-5.35,;-4.13,-3.97,;-3.05,-2.89,;-3.1,-1.35,;-1.81,-.52,;-.44,-1.24,;-.37,-2.78,;-1.67,-3.6,;-2.39,-8.69,;-3.72,-7.93,;-3.71,-6.39,;-5.07,-8.67,;-6.39,-7.9,;-6.39,-6.36,;-7.71,-5.57,;-9.05,-6.32,;-11.02,-6.39,;-9.68,-7.16,;-7.82,-7.41,;-9.28,-8.64,;-7.74,-8.65,;-9.07,-7.87,;4.26,-6.39,;5.6,-5.61,;5.58,-4.07,;6.93,-6.37,;8.27,-5.59,;8.27,-4.05,;9.61,-6.36,;9.79,-7.88,;11.3,-8.21,;12.07,-6.85,;11.03,-5.72,;5.6,-8.69,;5.61,-10.24,;6.94,-11.01,;8.28,-10.22,;8.26,-8.67,;6.93,-7.92,)| Show InChI InChI=1S/C35H41N7O5S/c1-35(16-26-17-36-28-10-6-5-9-27(26)28,41-34(45)47-31-24-12-21-11-22(14-24)15-25(31)13-21)32(44)37-18-29(23-7-3-2-4-8-23)40-30(43)19-48(46)33-38-20-39-42-33/h2-10,17,20-22,24-25,29,31,36H,11-16,18-19H2,1H3,(H,37,44)(H,40,43)(H,41,45)(H,38,39,42)/t21?,22?,24?,25?,29-,31?,35+,48?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Neuroscience Research Centre Curated by ChEMBL					Assay Description Evaluated for inhibition of CCK-B receptor by displacing [125I]bolton hunter CCK-8 radioligand in the mouse cerebral cortex				J Med Chem 35: 2573-81 (1992) BindingDB Entry DOI: 10.7270/Q2TT4RJ4
					More data for this Ligand-Target Pair