Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50040679'   

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))	BDBM50040679 (1-((S)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)Nc2ccc(cc2)-c2nnn[nH]2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C24H20N8O2/c1-32-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)26-22(23(32)33)27-24(34)25-17-13-11-16(12-14-17)21-28-30-31-29-21/h2-14,22H,1H3,(H2,25,27,34)(H,28,29,30,31)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.02	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description The compound was tested for binding activity against Cholecystokinin type B receptor from rat pancreatic tissue using [125]BH CCK-8 as radioligand				J Med Chem 37: 722-4 (1994) BindingDB Entry DOI: 10.7270/Q2CN72ZM
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