Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50225857'   

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/Gastrin/cholecystokinin type B receptor (RAT)	BDBM50225857 (CHEMBL408764) Show SMILES [H][C@]12N([C@@H](CC(C)C)C(=O)N1c1ccccc1[C@@]2(O)C[C@@H]1NC(=O)c2ccccc2-n2c1nc1ccccc1c2=O)C(=O)C(CCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C49H53N7O9/c1-29(2)26-39-44(60)55-38-24-14-11-20-33(38)49(63,27-36-40-51-34-21-12-9-18-31(34)42(58)54(40)37-23-13-10-19-32(37)41(57)52-36)45(55)56(39)43(59)35(53-47(62)65-48(3,4)5)22-15-25-50-46(61)64-28-30-16-7-6-8-17-30/h6-14,16-21,23-24,29,35-36,39,45,63H,15,22,25-28H2,1-5H3,(H,50,61)(H,52,57)(H,53,62)/t35?,36-,39-,45+,49-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]CCK binding to rat pancreatic Cholecystokinin receptor				J Med Chem 29: 1941-5 (1986) BindingDB Entry DOI: 10.7270/Q28C9ZFQ
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