Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50005814'   

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)	BDBM50005814 (CHEMBL422941 | [1-[(1-Hydroxymethyl-2-phenyl-ethyl...) Show SMILES CN(C(CO)Cc1ccccc1)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:32.34,36.38,wD:34.42,30.33,TLB:28:29:35:32.37.33,THB:31:30:35:32.37.33,31:32:35:29.30.38,(14.54,-9.86,;15.22,-8.47,;16.76,-8.35,;17.43,-6.97,;18.97,-6.87,;17.62,-9.64,;19.16,-9.51,;20.02,-10.79,;21.54,-10.68,;22.21,-9.28,;21.35,-8.02,;19.81,-8.13,;14.35,-7.2,;15.02,-5.82,;12.84,-7.31,;11.59,-6.42,;11.75,-4.88,;10.6,-3.86,;11.21,-2.45,;12.75,-2.6,;13.87,-1.55,;15.35,-2.02,;15.67,-3.54,;14.53,-4.57,;13.07,-4.11,;12.06,-8.63,;10.52,-8.61,;9.76,-7.26,;9.73,-9.92,;8.19,-9.89,;6.81,-9.31,;5.46,-9.8,;5.46,-11.27,;4.28,-12.55,;5.77,-12.14,;7.16,-12.7,;8.19,-11.43,;6.78,-11.77,;5.75,-10.55,)| Show InChI InChI=1S/C32H39N3O4/c1-35(26(19-36)16-20-7-3-2-4-8-20)31(37)29(17-25-18-33-28-10-6-5-9-27(25)28)34-32(38)39-30-23-12-21-11-22(14-23)15-24(30)13-21/h2-10,18,21-24,26,29-30,33,36H,11-17,19H2,1H3,(H,34,38)/t21-,22+,23-,24+,26?,29?,30?	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.08E+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