Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50045806'   

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 (Homo sapiens (Human))	BDBM50045806 (CHEMBL320399 | {[2-(Adamantan-2-yloxycarbonylamino...) Show SMILES CC(Cc1ccc(Br)cc1)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(O)=O |wU:19.20,17.24,15.16,wD:21.23,TLB:13:14:16:19.23.18,THB:20:21:16:19.23.18,20:19:14.21.22:16,(17.3,-9.45,;15.98,-10.23,;14.64,-11,;14.66,-12.56,;15.99,-13.31,;16,-14.85,;14.67,-15.63,;14.67,-17.17,;13.33,-14.87,;13.31,-13.34,;14.47,-9.82,;13.12,-9.05,;12.04,-10.13,;12.74,-7.56,;11.25,-7.15,;9.5,-7.16,;8.43,-8.19,;7.15,-7.56,;6.6,-6.15,;7.72,-5.1,;9.35,-4.94,;9.92,-6.36,;8.77,-7.47,;8.94,-5.87,;17.31,-11,;17.3,-12.53,;18.85,-10.99,;19.63,-9.66,;21.17,-9.66,;21.94,-8.31,;23.48,-8.31,;24.25,-6.99,;23.48,-5.64,;21.92,-5.66,;21.16,-6.99,;19.63,-12.33,;21.17,-12.33,;21.94,-13.66,;21.94,-10.99,)| Show InChI InChI=1S/C31H37BrN2O5/c1-31(18-21-7-9-26(32)10-8-21,29(37)34(19-27(35)36)12-11-20-5-3-2-4-6-20)33-30(38)39-28-24-14-22-13-23(16-24)17-25(28)15-22/h2-10,22-25,28H,11-19H2,1H3,(H,33,38)(H,35,36)/t22-,23+,24-,25+,28?,31?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type B receptor in guinea pig brain cortex				J Med Chem 36: 2868-77 (1993) BindingDB Entry DOI: 10.7270/Q2MG7NK5
					More data for this Ligand-Target Pair