Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor type A' and Ligand = 'BDBM50045807'   

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)	BDBM50045807 (3-(1H-Indol-3-yl)-2-methyl-N-phenethyl-2-(3-trityl...) Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C40H38N4O2/c1-39(28-31-29-42-36-25-15-14-24-35(31)36,37(45)41-27-26-30-16-6-2-7-17-30)43-38(46)44-40(32-18-8-3-9-19-32,33-20-10-4-11-21-33)34-22-12-5-13-23-34/h2-25,29,42H,26-28H2,1H3,(H,41,45)(H2,43,44,46)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.78E+3	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 A receptor in guinea pig pancreatic membranes				J Med Chem 36: 2868-77 (1993) BindingDB Entry DOI: 10.7270/Q2MG7NK5
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