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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 = 'BDBM50162093'   
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)
BDBM50162093
PNG
(2-(3-Chloro-phenyl)-3-cyclohexyl-1-dimethylcarbamo...)
Show SMILES CN(C)C(=O)Cn1c(c(C2CCCCC2)c2ccc(cc12)C(O)=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C25H27ClN2O3/c1-27(2)22(29)15-28-21-14-18(25(30)31)11-12-20(21)23(16-7-4-3-5-8-16)24(28)17-9-6-10-19(26)13-17/h6,9-14,16H,3-5,7-8,15H2,1-2H3,(H,30,31)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 40n/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)
BDBM50162093
PNG
(2-(3-Chloro-phenyl)-3-cyclohexyl-1-dimethylcarbamo...)
Show SMILES CN(C)C(=O)Cn1c(c(C2CCCCC2)c2ccc(cc12)C(O)=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C25H27ClN2O3/c1-27(2)22(29)15-28-21-14-18(25(30)31)11-12-20(21)23(16-7-4-3-5-8-16)24(28)17-9-6-10-19(26)13-17/h6,9-14,16H,3-5,7-8,15H2,1-2H3,(H,30,31)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 4.5n/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