Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor type A' and Ligand = 'BDBM50286171'   

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
Cholecystokinin receptor type A (Cavia porcellus)	BDBM50286171 (1-[(R)-1-(4-Benzoyl-piperidine-1-carbonyl)-4-oxo-4...) Show SMILES Cc1cccc(NC(=O)N[C@H](CCC(=O)N2CCCC2)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1 Show InChI InChI=1S/C29H36N4O4/c1-21-8-7-11-24(20-21)30-29(37)31-25(12-13-26(34)32-16-5-6-17-32)28(36)33-18-14-23(15-19-33)27(35)22-9-3-2-4-10-22/h2-4,7-11,20,23,25H,5-6,12-19H2,1H3,(H2,30,31,37)/t25-/m1/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity towards binding of [125I]-Bolton-Hunter-CCK-8 to CCKA receptor in guinea pig pancreatic tissue				Bioorg Med Chem Lett 5: 3057-3062 (1995) Article DOI: 10.1016/0960-894X(95)00537-3 BindingDB Entry DOI: 10.7270/Q2BZ6604
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