Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50272474'   

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))	BDBM50272474 (5-chloro-3-(2-(4-(3-methoxyphenylsulfonyl)-2-(pyrr...) Show SMILES COc1cccc(c1)S(=O)(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cn1c2cc(Cl)ccc2oc1=O Show InChI InChI=1S/C25H29ClN4O6S/c1-35-20-5-4-6-21(14-20)37(33,34)28-11-12-29(19(16-28)15-27-9-2-3-10-27)24(31)17-30-22-13-18(26)7-8-23(22)36-25(30)32/h4-8,13-14,19H,2-3,9-12,15-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	320	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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