Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50093959'   

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))	BDBM50093959 (2-(4-Dimethanesulfonylamino-phenyl)-N-methyl-N-((S...) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(cc1)N(S(C)(=O)=O)S(C)(=O)=O Show InChI InChI=1S/C23H31N3O5S2/c1-24(22(18-25-15-7-8-16-25)20-9-5-4-6-10-20)23(27)17-19-11-13-21(14-12-19)26(32(2,28)29)33(3,30)31/h4-6,9-14,22H,7-8,15-18H2,1-3H3/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description In vitro binding affinity towards Opioid receptor kappa 1 by displacement of bound [3H]U69,593				Bioorg Med Chem Lett 10: 2567-70 (2001) BindingDB Entry DOI: 10.7270/Q26H4GNG
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