Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor type A' and Ligand = 'BDBM50286172'   

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)	BDBM50286172 (CHEMBL320154 | Pyrrolidine-1-carboxylic acid (R)-3...) Show SMILES Cc1cccc(NC(=O)N[C@H](COC(=O)N2CCCC2)C(=O)N2CCC(CC2)C(=O)Nc2ccccc2)c1 Show InChI InChI=1S/C28H35N5O5/c1-20-8-7-11-23(18-20)30-27(36)31-24(19-38-28(37)33-14-5-6-15-33)26(35)32-16-12-21(13-17-32)25(34)29-22-9-3-2-4-10-22/h2-4,7-11,18,21,24H,5-6,12-17,19H2,1H3,(H,29,34)(H2,30,31,36)/t24-/m1/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	250	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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