BindingDB logo
myBDB logout

BDBM30474 1,1-dioxoisothiazole analog., 18

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

InChI Key: InChIKey=RJBAKISZENHFKK-QABVGGBHNA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 30474   
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))
BDBM30474
PNG
(1,1-dioxoisothiazole analog., 18)
Show SMILES CC(C)[C@@H]1N(Cc2ccccc2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2OCC(=O)C(C)(C)C
Show InChI InChI=1/C27H30N2O6S/c1-16(2)23-24(31)21(26(32)29(23)14-17-10-7-6-8-11-17)22-18-12-9-13-19(25(18)36(33,34)28-22)35-15-20(30)27(3,4)5/h6-13,16,23,28H,14-15H2,1-5H3/b22-21+/t23-/s2
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10E+4n/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