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SMILES: COc1ccc(cc1OC)S(=O)(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cn1c2cc(Cl)ccc2oc1=O

InChI Key: InChIKey=WTSGPNONYHKMJB-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50272476   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50272476
PNG
(5-chloro-3-(2-(4-(3,4-dimethoxyphenylsulfonyl)-2-(...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cn1c2cc(Cl)ccc2oc1=O
Show InChI InChI=1S/C26H31ClN4O7S/c1-36-23-8-6-20(14-24(23)37-2)39(34,35)29-11-12-30(19(16-29)15-28-9-3-4-10-28)25(32)17-31-21-13-18(27)5-7-22(21)38-26(31)33/h5-8,13-14,19H,3-4,9-12,15-17H2,1-2H3
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n/an/an/an/a 320n/an/an/an/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
More data for this
Ligand-Target Pair