Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50453649'   

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
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50453649 (CHEMBL304524) Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O Show InChI InChI=1S/C41H50N8O8/c1-24-15-17-27(18-16-24)20-33(37(42)53)47-40(56)35(22-36(51)52)48-38(54)32(14-8-9-19-43-41(57)49-30-12-6-4-10-25(30)2)46-39(55)34(45-26(3)50)21-28-23-44-31-13-7-5-11-29(28)31/h4-7,10-13,15-18,23,32-35,44H,8-9,14,19-22H2,1-3H3,(H2,42,53)(H,45,50)(H,46,55)(H,47,56)(H,48,54)(H,51,52)(H2,43,49,57)/t32?,33-,34+,35+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.01E+3	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 human Cholecystokinin type B receptor expressing CHO cell membranes				J Med Chem 38: 207-11 (1995) BindingDB Entry DOI: 10.7270/Q28C9XF9
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