Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50037873'   

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)	BDBM50037873 (CBS-2 | CHEMBL341130) Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)CCC(=O)N(Cc1ccccc1)N=NCCCl |w:35.38| Show InChI InChI=1S/C27H31ClN6O5/c28-13-15-31-33-34(18-19-6-2-1-3-7-19)26(37)11-10-24(35)29-14-12-25(36)32-23(27(38)39)16-20-17-30-22-9-5-4-8-21(20)22/h1-9,17,23,30H,10-16,18H2,(H,29,35)(H,32,36)(H,38,39)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a
NCI-Frederick Cancer Research and Development Center Curated by ChEMBL					Assay Description Tested for the 50% inhibition level against [125I]- gastrin binding in AR42J cells				J Med Chem 37: 3812-8 (1994) BindingDB Entry DOI: 10.7270/Q2TM7BRX
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