Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50213403'   

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))	BDBM50213403 (CHEMBL391852 | ethyl 4-phenyl-4-(1-(1-phenylethyl)...) Show SMILES CCOC(=O)N1CCC(CC1)(c1nccn1C(C)c1ccccc1)c1ccccc1 |w:16.18| Show InChI InChI=1S/C25H29N3O2/c1-3-30-24(29)27-17-14-25(15-18-27,22-12-8-5-9-13-22)23-26-16-19-28(23)20(2)21-10-6-4-7-11-21/h4-13,16,19-20H,3,14-15,17-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from cloned human kappa opioid receptor				Bioorg Med Chem Lett 17: 3860-3 (2007) Article DOI: 10.1016/j.bmcl.2007.05.012 BindingDB Entry DOI: 10.7270/Q2TT4QMM
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