Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor type A' and Ligand = 'BDBM50286120'   

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)	BDBM50286120 (1-[5-(4-Methyl-piperazin-1-yl)-2-oxo-1-propyl-2,3-...) Show SMILES CCCN1c2ccccc2C(=NC(NC(=O)Nc2cccc(c2)C(F)(F)F)C1=O)N1CCN(C)CC1 |c:11| Show InChI InChI=1S/C25H29F3N6O2/c1-3-11-34-20-10-5-4-9-19(20)22(33-14-12-32(2)13-15-33)30-21(23(34)35)31-24(36)29-18-8-6-7-17(16-18)25(26,27)28/h4-10,16,21H,3,11-15H2,1-2H3,(H2,29,31,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125I]-BH CCK-8S from Cholecystokinin type A receptor in rat pancreas				Bioorg Med Chem Lett 5: 3023-3026 (1995) Article DOI: 10.1016/0960-894X(95)00530-0 BindingDB Entry DOI: 10.7270/Q2VX0GGR
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