Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50219914'   

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))	BDBM50219914 ((6-(4-((phenethylamino)methyl)phenoxy)pyridin-3-yl...) Show SMILES O=C(N1CCCCC1)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1 Show InChI InChI=1S/C26H29N3O2/c30-26(29-17-5-2-6-18-29)23-11-14-25(28-20-23)31-24-12-9-22(10-13-24)19-27-16-15-21-7-3-1-4-8-21/h1,3-4,7-14,20,27H,2,5-6,15-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells in presence of high sodium by SPA				Bioorg Med Chem Lett 17: 5349-52 (2007) Article DOI: 10.1016/j.bmcl.2007.08.008 BindingDB Entry DOI: 10.7270/Q2668CX7
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