Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50272373'   

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))	BDBM50272373 (2-(5-chlorobenzo[b]thiophen-3-yl)-1-(4-phenyl-2-(p...) Show SMILES Clc1ccc2scc(CC(=O)N3CCN(CC3CN3CCCC3)c3ccccc3)c2c1 Show InChI InChI=1S/C25H28ClN3OS/c26-20-8-9-24-23(15-20)19(18-31-24)14-25(30)29-13-12-28(21-6-2-1-3-7-21)17-22(29)16-27-10-4-5-11-27/h1-3,6-9,15,18,22H,4-5,10-14,16-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in CHO-K1 cells by [35S]GTPgamma binding assay				Bioorg Med Chem Lett 18: 4470-3 (2008) Article DOI: 10.1016/j.bmcl.2008.07.067 BindingDB Entry DOI: 10.7270/Q2TH8MHF
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