BDBM35554 thiophene scaffold, 21

SMILES CC(C)N(C(=O)[C@H]1CC[C@H](C)CC1)c1cc(sc1C(O)=O)-c1ccccc1

InChI Key InChIKey=RZXQBIKGWSLVEK-JCNLHEQBSA-N

Data  8 IC50  2 Kd

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 35554   

TargetGenome polyprotein(Hepatitis C virus genotype 1b (isolate BK) (HCV))
Irbm, Mrl Rome

LigandPNGBDBM35554(thiophene scaffold, 21)
Affinity DataIC50:  9nMpH: 7.5 T: 2°CAssay Description:Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi...More data for this Ligand-Target Pair
TargetGenome polyprotein [2420-2989,P2914A,R2963Q](Hepatitis C virus genotype 1b (isolate BK) (HCV))
Irbm, Mrl Rome

LigandPNGBDBM35554(thiophene scaffold, 21)
Affinity DataIC50:  40nMpH: 7.5 T: 2°CAssay Description:Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi...More data for this Ligand-Target Pair
TargetGenome polyprotein [2420-2989,R2920E,R2963Q](Hepatitis C virus genotype 1b (isolate BK) (HCV))
Irbm, Mrl Rome

LigandPNGBDBM35554(thiophene scaffold, 21)
Affinity DataIC50:  100nMpH: 7.5 T: 2°CAssay Description:Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi...More data for this Ligand-Target Pair
TargetGenome polyprotein [2420-2989,M2842K,R2963Q](Hepatitis C virus genotype 1b (isolate BK) (HCV))
Irbm, Mrl Rome

LigandPNGBDBM35554(thiophene scaffold, 21)
Affinity DataIC50: >500nMpH: 7.5 T: 2°CAssay Description:Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi...More data for this Ligand-Target Pair
TargetGenome polyprotein(Hepatitis C virus genotype 1b (strain HC-J4) (HCV))
Idenix Sarl, An Msd

Curated by ChEMBL
LigandPNGBDBM35554(thiophene scaffold, 21)
Affinity DataIC50:  35nMAssay Description:Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymeraseMore data for this Ligand-Target Pair
TargetGenome polyprotein(Hepatitis C virus genotype 2b (isolate HC-J8) (HCV...)
Irbm, Mrl Rome

LigandPNGBDBM35554(thiophene scaffold, 21)
Affinity DataIC50: >1.00E+4nMAssay Description:Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRNA-directed RNA polymerase(Hepacivirus C)
Roche Palo Alto

Curated by ChEMBL
LigandPNGBDBM35554(thiophene scaffold, 21)
Affinity DataKd:  427nMAssay Description:Inhibition of HCV NS5B polymerase L419M mutantMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepacivirus C)
Roche Palo Alto

Curated by ChEMBL
LigandPNGBDBM35554(thiophene scaffold, 21)
Affinity DataKd:  33nMAssay Description:Inhibition of HCV NS5B polymerase M414T mutantMore data for this Ligand-Target Pair
TargetRNA-directed RNA polymerase(Hepatitis C virus)
Idenix Sarl, An Msd

Curated by ChEMBL
LigandPNGBDBM35554(thiophene scaffold, 21)
Affinity DataIC50:  1.50E+3nMAssay Description:Inhibition of HCV NS5B RNA dependent RNA polymeraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein [2420-2989,M2833T,R2963Q](Hepatitis C virus genotype 1b (isolate BK) (HCV))
Irbm, Mrl Rome

LigandPNGBDBM35554(thiophene scaffold, 21)
Affinity DataIC50:  16nMpH: 7.5 T: 2°CAssay Description:Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi...More data for this Ligand-Target Pair