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BDBM30497 1,1-dioxoisothiazole analog., 41

SMILES: CS(=O)(=O)NCc1cccc2C(NS(=O)(=O)c12)=C1C(=O)N(Cc2ccc(F)c(Cl)c2)C2(CC2)C1=O

InChI Key: InChIKey=QIGSAQAAMDQGNW-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 30497   
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
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30497
PNG
(1,1-dioxoisothiazole analog., 41)
Show SMILES CS(=O)(=O)NCc1cccc2C(NS(=O)(=O)c12)=C1C(=O)N(Cc2ccc(F)c(Cl)c2)C2(CC2)C1=O |w:17.37|
Show InChI InChI=1S/C22H19ClFN3O6S2/c1-34(30,31)25-10-13-3-2-4-14-18(26-35(32,33)19(13)14)17-20(28)22(7-8-22)27(21(17)29)11-12-5-6-16(24)15(23)9-12/h2-6,9,25-26H,7-8,10-11H2,1H3
PDB

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/a>3.30E+4n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 4181-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.083
BindingDB Entry DOI: 10.7270/Q2PC30Q5
More data for this
Ligand-Target Pair