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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Hepatitis C virus NS5B RNA-dependent RNA polymerase' and Ligand = 'BDBM50181583'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181583
PNG
(3-(1,1-dioxo-1,4-dihydrobenzo[1,2,4]thiadiazin-3-y...)
Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(Cc2ccoc2)c2ccccc12 |t:3|
Show InChI InChI=1S/C21H15N3O5S/c25-19-14-5-1-3-7-16(14)24(11-13-9-10-29-12-13)21(26)18(19)20-22-15-6-2-4-8-17(15)30(27,28)23-20/h1-10,12,25H,11H2,(H,22,23)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 27n/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
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181583
PNG
(3-(1,1-dioxo-1,4-dihydrobenzo[1,2,4]thiadiazin-3-y...)
Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(Cc2ccoc2)c2ccccc12 |t:3|
Show InChI InChI=1S/C21H15N3O5S/c25-19-14-5-1-3-7-16(14)24(11-13-9-10-29-12-13)21(26)18(19)20-22-15-6-2-4-8-17(15)30(27,28)23-20/h1-10,12,25H,11H2,(H,22,23)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 389n/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