Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor type A' and Ligand = 'BDBM50456295'   

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)	BDBM50456295 (CHEMBL2111920) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)Nc2ccccc2Cl)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C23H19ClN4O2/c1-28-19-14-8-5-11-16(19)20(15-9-3-2-4-10-15)26-21(22(28)29)27-23(30)25-18-13-7-6-12-17(18)24/h2-14,21H,1H3,(H2,25,27,30)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.260	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 cholecystokinin type A receptor in rat pancreatic tissue				J Med Chem 36: 4276-92 (1994) BindingDB Entry DOI: 10.7270/Q22J6CH9
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