Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50125437'   

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))	BDBM50125437 (1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-(4-trifluor...) Show SMILES FC(F)(F)c1ccc(Nc2cccn(C(CN3CCCC3)c3ccccc3)c2=O)cc1 Show InChI InChI=1S/C24H24F3N3O/c25-24(26,27)19-10-12-20(13-11-19)28-21-9-6-16-30(23(21)31)22(17-29-14-4-5-15-29)18-7-2-1-3-8-18/h1-3,6-13,16,22,28H,4-5,14-15,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells				Bioorg Med Chem Lett 13: 1141-5 (2003) BindingDB Entry DOI: 10.7270/Q24J0DH2
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