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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'RNA-directed RNA polymerase' and Ligand = 'BDBM50137468'   
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)
BDBM50137468
PNG
(1-Cyclohexyl-2-pyridin-2-yl-1H-benzoimidazole-5-ca...)
Show SMILES COc1ccc(CNC(=O)c2ccc3n(C4CCCCC4)c(nc3c2)-c2ccccn2)cc1OC
Show InChI InChI=1S/C28H30N4O3/c1-34-25-14-11-19(16-26(25)35-2)18-30-28(33)20-12-13-24-23(17-20)31-27(22-10-6-7-15-29-22)32(24)21-8-4-3-5-9-21/h6-7,10-17,21H,3-5,8-9,18H2,1-2H3,(H,30,33)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.


Bioorg Med Chem Lett 14: 967-71 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.032
BindingDB Entry DOI: 10.7270/Q29C6WVF
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50137468
PNG
(1-Cyclohexyl-2-pyridin-2-yl-1H-benzoimidazole-5-ca...)
Show SMILES COc1ccc(CNC(=O)c2ccc3n(C4CCCCC4)c(nc3c2)-c2ccccn2)cc1OC
Show InChI InChI=1S/C28H30N4O3/c1-34-25-14-11-19(16-26(25)35-2)18-30-28(33)20-12-13-24-23(17-20)31-27(22-10-6-7-15-29-22)32(24)21-8-4-3-5-9-21/h6-7,10-17,21H,3-5,8-9,18H2,1-2H3,(H,30,33)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 7.10E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against NS5B polymerase of hepatitis C virus


Bioorg Med Chem Lett 14: 119-24 (2003)


BindingDB Entry DOI: 10.7270/Q21J9968
More data for this
Ligand-Target Pair