Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50296579'   

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))	BDBM50296579 (3-[5-(3,5-difluorophenyl)-3-({[(1S,3R)-3-fluorocyc...) Show SMILES Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(CCC#N)c1-c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C19H21F3N4/c1-12-18(11-24-17-4-3-14(20)10-17)25-26(6-2-5-23)19(12)13-7-15(21)9-16(22)8-13/h7-9,14,17,24H,2-4,6,10-11H2,1H3/t14-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human cloned kappa opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 4729-32 (2009) Article DOI: 10.1016/j.bmcl.2009.06.051 BindingDB Entry DOI: 10.7270/Q2H9958F
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