Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50219922'   

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))	BDBM50219922 (CHEMBL396392 | N-methyl-6-(4-((phenethylamino)meth...) Show SMILES CNC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1 Show InChI InChI=1S/C22H23N3O2/c1-23-22(26)19-9-12-21(25-16-19)27-20-10-7-18(8-11-20)15-24-14-13-17-5-3-2-4-6-17/h2-12,16,24H,13-15H2,1H3,(H,23,26)	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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