Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor type A' and Ligand = 'BDBM50286175'   

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)	BDBM50286175 (1-{1-[(R)-(4-Benzoyl-piperidin-1-yl)-oxo-methyl]-4...) Show SMILES Cc1cccc(NC(=O)N[C@H](CCCc2ccccc2)C(=O)N2CCC(CC2)C(=O)c2ccccc2)c1 Show InChI InChI=1S/C31H35N3O3/c1-23-10-8-16-27(22-23)32-31(37)33-28(17-9-13-24-11-4-2-5-12-24)30(36)34-20-18-26(19-21-34)29(35)25-14-6-3-7-15-25/h2-8,10-12,14-16,22,26,28H,9,13,17-21H2,1H3,(H2,32,33,37)/t28-/m1/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.80E+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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