Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50291429'   

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 (RAT)	BDBM50291429 ((S)-3-[(1S,2S)-2-Benzyloxycarbonylamino-1-cyano-3-...) Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)N[C@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C33H34N6O6/c34-18-29(37-28(17-30(40)41)32(43)38-27(31(35)42)15-21-9-3-1-4-10-21)26(16-23-19-36-25-14-8-7-13-24(23)25)39-33(44)45-20-22-11-5-2-6-12-22/h1-14,19,26-29,36-37H,15-17,20H2,(H2,35,42)(H,38,43)(H,39,44)(H,40,41)/t26-,27-,28-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of specific [3H]propionyl-CCK-8 binding to rat cerebral cortex membrane Cholecystokinin type B receptor				Bioorg Med Chem Lett 7: 855-860 (1997) Article DOI: 10.1016/S0960-894X(97)00107-8 BindingDB Entry DOI: 10.7270/Q218370Q
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