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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 = 'BDBM50162101'   
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)
BDBM50162101
PNG
(1-Benzyl-3-cyclohexyl-2-phenyl-1H-indole-6-carboxy...)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3)n(Cc3ccccc3)c2c1
Show InChI InChI=1S/C28H27NO2/c30-28(31)23-16-17-24-25(18-23)29(19-20-10-4-1-5-11-20)27(22-14-8-3-9-15-22)26(24)21-12-6-2-7-13-21/h1,3-5,8-11,14-18,21H,2,6-7,12-13,19H2,(H,30,31)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 37n/an/an/an/an/an/a



IRBM (Merck Research Laboratories Rome)

Curated by ChEMBL


Assay Description
Inhibitory activity against RNA dependent RNA polymerase nonstructural protein 5B in hepatitis C virus; n=1


J Med Chem 48: 1314-7 (2005)


Article DOI: 10.1021/jm049122i
BindingDB Entry DOI: 10.7270/Q2C24VXP
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50162101
PNG
(1-Benzyl-3-cyclohexyl-2-phenyl-1H-indole-6-carboxy...)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3)n(Cc3ccccc3)c2c1
Show InChI InChI=1S/C28H27NO2/c30-28(31)23-16-17-24-25(18-23)29(19-20-10-4-1-5-11-20)27(22-14-8-3-9-15-22)26(24)21-12-6-2-7-13-21/h1,3-5,8-11,14-18,21H,2,6-7,12-13,19H2,(H,30,31)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 14n/an/an/an/a



IRBM (Merck Research Laboratories Rome)

Curated by ChEMBL


Assay Description
Effective concentration to inhibit the activity of RNA dependent RNA polymerase nonstructural protein 5B in hepatitis C virus; n=1


J Med Chem 48: 1314-7 (2005)


Article DOI: 10.1021/jm049122i
BindingDB Entry DOI: 10.7270/Q2C24VXP
More data for this
Ligand-Target Pair