Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50417589'   

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))	BDBM50417589 (CHEMBL1642747) Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNC2Cc3ccccc3C2)cc1 Show InChI InChI=1S/C26H27N3O/c27-26(30)22-9-12-25-21(14-22)6-3-13-29(25)24-10-7-18(8-11-24)17-28-23-15-19-4-1-2-5-20(19)16-23/h1-2,4-5,7-12,14,23,28H,3,6,13,15-17H2,(H2,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA				Bioorg Med Chem Lett 21: 670-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.010 BindingDB Entry DOI: 10.7270/Q2KD2051
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