Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor type A' and Ligand = 'BDBM50343691'   

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 (Homo sapiens (Human))	BDBM50343691 ((6-(3-methoxyphenyl)-5-p-tolylpyrazin-2-yl)(4-(nap...) Show SMILES COc1cccc(c1)-c1nc(cnc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1 Show InChI InChI=1S/C33H30N4O2/c1-23-10-12-25(13-11-23)31-32(27-8-5-9-29(21-27)39-2)35-30(22-34-31)33(38)37-18-16-36(17-19-37)28-15-14-24-6-3-4-7-26(24)20-28/h3-15,20-22H,16-19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Inc. Curated by ChEMBL					Assay Description Displacement of [I125]-CCK8 from human CCK1 receptor expressed in CHO Flip cells after 2 hrs by scintillation counting				Bioorg Med Chem Lett 21: 2911-5 (2011) Article DOI: 10.1016/j.bmcl.2011.03.069 BindingDB Entry DOI: 10.7270/Q2TB177X
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