Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50417599'   

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))	BDBM50417599 (CHEMBL1642758) Show SMILES Cc1cc(CNC2Cc3ccccc3C2)ccc1N1CCCc2cc(ccc12)C(N)=O Show InChI InChI=1S/C27H29N3O/c1-18-13-19(17-29-24-15-20-5-2-3-6-21(20)16-24)8-10-25(18)30-12-4-7-22-14-23(27(28)31)9-11-26(22)30/h2-3,5-6,8-11,13-14,24,29H,4,7,12,15-17H2,1H3,(H2,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	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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