Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50132643'   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50132643 (4-(4-Chloro-3-trifluoromethyl-phenyl)-1-cyclooctyl...) Show SMILES OC1(CCN(CC2CCCCCCC2)CC1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C21H29ClF3NO/c22-19-9-8-17(14-18(19)21(23,24)25)20(27)10-12-26(13-11-20)15-16-6-4-2-1-3-5-7-16/h8-9,14,16,27H,1-7,10-13,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. Curated by ChEMBL					Assay Description Antagonistic activity of the compound against opioid receptor kappa 1				Bioorg Med Chem Lett 13: 3247-52 (2003) BindingDB Entry DOI: 10.7270/Q2K936XQ
					More data for this Ligand-Target Pair