Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor type A' and Ligand = 'BDBM50453648'   

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))	BDBM50453648 (CHEMBL63707) Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)Nc1ccccc1Cl)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O Show InChI InChI=1S/C40H47ClN8O8/c1-23-14-16-25(17-15-23)19-32(36(42)53)47-39(56)34(21-35(51)52)48-37(54)31(13-7-8-18-43-40(57)49-30-12-6-4-10-28(30)41)46-38(55)33(45-24(2)50)20-26-22-44-29-11-5-3-9-27(26)29/h3-6,9-12,14-17,22,31-34,44H,7-8,13,18-21H2,1-2H3,(H2,42,53)(H,45,50)(H,46,55)(H,47,56)(H,48,54)(H,51,52)(H2,43,49,57)/t31?,32-,33+,34+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research Institute Curated by ChEMBL					Assay Description Displacement of CCK-8 from CHO cell membranes expressing human Cholecystokinin type A receptor				J Med Chem 38: 207-11 (1995) BindingDB Entry DOI: 10.7270/Q28C9XF9
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