Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor type A' and Ligand = 'BDBM50229547'   

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)	BDBM50229547 (CHEMBL3142899) Show SMILES CC(=O)c1cccc(NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 Show InChI InChI=1S/C44H54N8O10/c1-26(53)28-15-12-16-30(22-28)48-42(60)46-20-11-10-19-33(39(57)51-36(24-37(54)55)41(59)50-34(38(45)56)21-27-13-6-5-7-14-27)49-40(58)35(52-43(61)62-44(2,3)4)23-29-25-47-32-18-9-8-17-31(29)32/h5-9,12-18,22,25,33-36,47H,10-11,19-21,23-24H2,1-4H3,(H2,45,56)(H,49,58)(H,50,59)(H,51,57)(H,52,61)(H,54,55)(H2,46,48,60)/t33-,34-,35-,36-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity for Cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand				J Med Chem 34: 2837-42 (1991) BindingDB Entry DOI: 10.7270/Q2JD4VRF
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