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BDBM30475 1,1-dioxoisothiazole analog., 19

SMILES: CC(C)[C@@H]1N(Cc2ccccc2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2OCC#N

InChI Key: InChIKey=JWAUHYSYSKBPDF-FQEVSTJZSA-N

Data: 1 IC50  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 30475   
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))
BDBM30475
PNG
(1,1-dioxoisothiazole analog., 19)
Show SMILES CC(C)[C@@H]1N(Cc2ccccc2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2OCC#N
Show InChI InChI=1S/C23H21N3O5S/c1-14(2)20-21(27)18(23(28)26(20)13-15-7-4-3-5-8-15)19-16-9-6-10-17(31-12-11-24)22(16)32(29,30)25-19/h3-10,14,20,25H,12-13H2,1-2H3/t20-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/a 1.20E+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