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SMILES: CC(C)CCn1c2ccc(OCC(N)=O)cc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O

InChI Key: InChIKey=XCBRQLUBWBEIBB-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50181584   
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
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181584
PNG
(4-[3-(1,1-dioxo-1,4-dihydrobenzo[1,2,4]thiadiazin-...)
Show SMILES CC(C)CCn1c2ccc(OCC(N)=O)cc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O |t:21|
Show InChI InChI=1S/C23H24N4O6S/c1-13(2)9-10-27-17-8-7-14(33-12-19(24)28)11-15(17)21(29)20(23(27)30)22-25-16-5-3-4-6-18(16)34(31,32)26-22/h3-8,11,13,29H,9-10,12H2,1-2H3,(H2,24,28)(H,25,26)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 511n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of HCV RNA replication in Huh7 cells


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181584
PNG
(4-[3-(1,1-dioxo-1,4-dihydrobenzo[1,2,4]thiadiazin-...)
Show SMILES CC(C)CCn1c2ccc(OCC(N)=O)cc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O |t:21|
Show InChI InChI=1S/C23H24N4O6S/c1-13(2)9-10-27-17-8-7-14(33-12-19(24)28)11-15(17)21(29)20(23(27)30)22-25-16-5-3-4-6-18(16)34(31,32)26-22/h3-8,11,13,29H,9-10,12H2,1-2H3,(H2,24,28)(H,25,26)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 24n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair