Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50043503'   

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))	BDBM50043503 (CHEMBL135218 | Diethylamino-acetic acid 2-[2-oxo-5...) Show SMILES CCN(CC)CC(=O)OCCN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |c:19| Show InChI InChI=1S/C31H35N5O4/c1-4-35(5-2)21-27(37)40-19-18-36-26-17-10-9-16-25(26)28(23-13-7-6-8-14-23)33-29(30(36)38)34-31(39)32-24-15-11-12-22(3)20-24/h6-17,20,29H,4-5,18-19,21H2,1-3H3,(H2,32,34,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor				J Med Chem 36: 4276-92 (1994) BindingDB Entry DOI: 10.7270/Q22J6CH9
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