Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor type A' and Ligand = 'BDBM50013202'   

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
Cholecystokinin receptor type A (RAT)	BDBM50013202 (3-[(5-Chloro-pyrazin-2-ylamino)-methyl]-5-(2-fluor...) Show SMILES Fc1ccccc1C1=NC(CNc2cnc(Cl)cn2)C(=O)Nc2ccccc12 |t:8| Show InChI InChI=1S/C20H15ClFN5O/c21-17-10-25-18(11-23-17)24-9-16-20(28)27-15-8-4-2-6-13(15)19(26-16)12-5-1-3-7-14(12)22/h1-8,10-11,16H,9H2,(H,24,25)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas				J Med Chem 33: 450-5 (1990) BindingDB Entry DOI: 10.7270/Q26M35TN
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