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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'RNA-directed RNA polymerase' and Ligand = 'BDBM50147498'   
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
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50147498
PNG
(3-Hydroxy-4-oxo-4H-pyran-2,6-dicarboxylic acid 6-e...)
Show SMILES CCOC(=O)c1cc(=O)c(O)c(o1)C(O)=O
Show InChI InChI=1S/C9H8O7/c1-2-15-9(14)5-3-4(10)6(11)7(16-5)8(12)13/h3,11H,2H2,1H3,(H,12,13)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 650n/an/an/an/an/an/a



MRL Rome

Curated by ChEMBL


Assay Description
Inhibitory potency of compound in presence of Mg2+ ion against NS5B HCV polymerase


Bioorg Med Chem Lett 14: 3257-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.087
BindingDB Entry DOI: 10.7270/Q2MW2GMS
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50147498
PNG
(3-Hydroxy-4-oxo-4H-pyran-2,6-dicarboxylic acid 6-e...)
Show SMILES CCOC(=O)c1cc(=O)c(O)c(o1)C(O)=O
Show InChI InChI=1S/C9H8O7/c1-2-15-9(14)5-3-4(10)6(11)7(16-5)8(12)13/h3,11H,2H2,1H3,(H,12,13)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.25E+3n/an/an/an/an/an/a



Italy. Vinc

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit HCV RNA dependent RNA polymerase Nonstructural protein 5B is determined


J Med Chem 47: 5336-9 (2004)


Article DOI: 10.1021/jm0494669
BindingDB Entry DOI: 10.7270/Q2G1609M
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50147498
PNG
(3-Hydroxy-4-oxo-4H-pyran-2,6-dicarboxylic acid 6-e...)
Show SMILES CCOC(=O)c1cc(=O)c(O)c(o1)C(O)=O
Show InChI InChI=1S/C9H8O7/c1-2-15-9(14)5-3-4(10)6(11)7(16-5)8(12)13/h3,11H,2H2,1H3,(H,12,13)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.25E+3n/an/an/an/an/an/a



MRL Rome

Curated by ChEMBL


Assay Description
Inhibitory potency against NS5B HCV polymerase


Bioorg Med Chem Lett 14: 3257-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.087
BindingDB Entry DOI: 10.7270/Q2MW2GMS
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50147498
PNG
(3-Hydroxy-4-oxo-4H-pyran-2,6-dicarboxylic acid 6-e...)
Show SMILES CCOC(=O)c1cc(=O)c(O)c(o1)C(O)=O
Show InChI InChI=1S/C9H8O7/c1-2-15-9(14)5-3-4(10)6(11)7(16-5)8(12)13/h3,11H,2H2,1H3,(H,12,13)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.25E+3n/an/an/an/an/an/a



MRL Rome

Curated by ChEMBL


Assay Description
Inhibitory potency against NS5B HCV polymerase


Bioorg Med Chem Lett 14: 3257-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.087
BindingDB Entry DOI: 10.7270/Q2MW2GMS
More data for this
Ligand-Target Pair