Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50368603'   

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)	BDBM50368603 (CHEMBL1237153) Show SMILES OCC(Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |r,wU:33.41,31.33,35.39,wD:29.32,TLB:27:28:37.33.32:30,THB:34:33:28.36.35:30,34:35:37.33.32:30,(-1.5,-4.52,;-2.98,-4.08,;-3.35,-2.59,;-4.82,-2.15,;-5.94,-3.22,;-5.57,-4.71,;-6.69,-5.78,;-8.17,-5.34,;-8.53,-3.85,;-7.42,-2.78,;-2.23,-1.52,;-3.41,-.53,;-.75,-1.96,;.36,-.89,;-0,.6,;-1.48,1.04,;-2.7,.1,;-3.97,.96,;-3.54,2.44,;-4.35,3.75,;-3.62,5.11,;-2.08,5.15,;-1.27,3.84,;-2,2.49,;1.84,-1.33,;2.95,-.26,;2.59,1.23,;4.43,-.7,;5.54,.37,;6.92,1.06,;8.29,.37,;9.13,1.84,;9.13,3.24,;7.76,3.93,;6.38,3.24,;6.38,1.84,;7.76,1.14,;6.92,2.46,)| Show InChI InChI=1S/C31H37N3O4/c35-18-25(11-19-6-2-1-3-7-19)30(36)33-28(16-24-17-32-27-9-5-4-8-26(24)27)34-31(37)38-29-22-12-20-10-21(14-22)15-23(29)13-20/h1-9,17,20-23,25,28-29,32,35H,10-16,18H2,(H,33,36)(H,34,37)/t20-,21+,22-,23+,25?,28?,29?	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	976	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