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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'RNA-directed RNA polymerase' and Ligand = 'BDBM50181929'   
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)
BDBM50181929
PNG
(1-cyclohexyl-2-(4-(dip-tolylmethoxy)phenyl)-1H-ben...)
Show SMILES Cc1ccc(cc1)C(Oc1ccc(cc1)-c1nc2cc(ccc2n1C1CCCCC1)C(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C35H34N2O3/c1-23-8-12-25(13-9-23)33(26-14-10-24(2)11-15-26)40-30-19-16-27(17-20-30)34-36-31-22-28(35(38)39)18-21-32(31)37(34)29-6-4-3-5-7-29/h8-22,29,33H,3-7H2,1-2H3,(H,38,39)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181929
PNG
(1-cyclohexyl-2-(4-(dip-tolylmethoxy)phenyl)-1H-ben...)
Show SMILES Cc1ccc(cc1)C(Oc1ccc(cc1)-c1nc2cc(ccc2n1C1CCCCC1)C(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C35H34N2O3/c1-23-8-12-25(13-9-23)33(26-14-10-24(2)11-15-26)40-30-19-16-27(17-20-30)34-36-31-22-28(35(38)39)18-21-32(31)37(34)29-6-4-3-5-7-29/h8-22,29,33H,3-7H2,1-2H3,(H,38,39)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1a NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181929
PNG
(1-cyclohexyl-2-(4-(dip-tolylmethoxy)phenyl)-1H-ben...)
Show SMILES Cc1ccc(cc1)C(Oc1ccc(cc1)-c1nc2cc(ccc2n1C1CCCCC1)C(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C35H34N2O3/c1-23-8-12-25(13-9-23)33(26-14-10-24(2)11-15-26)40-30-19-16-27(17-20-30)34-36-31-22-28(35(38)39)18-21-32(31)37(34)29-6-4-3-5-7-29/h8-22,29,33H,3-7H2,1-2H3,(H,38,39)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 3.70E+3n/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV RNA replication in Huh5-2 cells after 48 hrs


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair