Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50002518'   

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))	BDBM50002518 (3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCc1ccc(cc1)C(F)(F)F)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C45H54F3N7O9/c1-44(2,3)64-43(63)55-35(24-29-26-51-32-14-8-7-13-31(29)32)41(61)52-33(15-9-10-22-50-37(56)21-18-27-16-19-30(20-17-27)45(46,47)48)40(60)54-36(25-38(57)58)42(62)53-34(39(49)59)23-28-11-5-4-6-12-28/h4-8,11-14,16-17,19-20,26,33-36,51H,9-10,15,18,21-25H2,1-3H3,(H2,49,59)(H,50,56)(H,52,61)(H,53,62)(H,54,60)(H,55,63)(H,57,58)/t33-,34?,35?,36?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig cortex				J Med Chem 35: 2007-14 (1992) BindingDB Entry DOI: 10.7270/Q21J9BDC
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