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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 = 'BDBM50181580'   
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)
BDBM50181580
PNG
(1-(3,3-dimethylbutyl)-3-(1,1-dioxo-1,4-dihydrobenz...)
Show SMILES CC(C)(C)CCn1c2ccc(NCCO)cc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O |t:21|
Show InChI InChI=1S/C24H28N4O5S/c1-24(2,3)10-12-28-18-9-8-15(25-11-13-29)14-16(18)21(30)20(23(28)31)22-26-17-6-4-5-7-19(17)34(32,33)27-22/h4-9,14,25,29-30H,10-13H2,1-3H3,(H,26,27)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 48n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)
BDBM50181580
PNG
(1-(3,3-dimethylbutyl)-3-(1,1-dioxo-1,4-dihydrobenz...)
Show SMILES CC(C)(C)CCn1c2ccc(NCCO)cc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O |t:21|
Show InChI InChI=1S/C24H28N4O5S/c1-24(2,3)10-12-28-18-9-8-15(25-11-13-29)14-16(18)21(30)20(23(28)31)22-26-17-6-4-5-7-19(17)34(32,33)27-22/h4-9,14,25,29-30H,10-13H2,1-3H3,(H,26,27)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 370n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of HCV RNA replication in Huh7 cells


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair