null
SMILES: CC(C)N(C(=O)[C@H]1CC[C@H](C)CC1)c1cc(sc1C(O)=O)-c1ccccc1
InChI Key: InChIKey=RZXQBIKGWSLVEK-JCNLHEQBSA-N
PDB links: 2 PDB IDs match this monomer.
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV)) | BDBM35554 (thiophene scaffold, 21) | PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 9 | n/a | n/a | n/a | n/a | 7.5 | 23 |
IRBM-MRL Rome | Assay Description Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi... | J Med Chem 52: 5217-27 (2009) Article DOI: 10.1021/jm900517t BindingDB Entry DOI: 10.7270/Q2X928P4 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Genome polyprotein [2420-2989,P2914A,R2963Q] (Hepatitis C virus genotype 1b (isolate BK) (HCV)) | BDBM35554 (thiophene scaffold, 21) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 40 | n/a | n/a | n/a | n/a | 7.5 | 23 |
IRBM-MRL Rome | Assay Description Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi... | J Med Chem 52: 5217-27 (2009) Article DOI: 10.1021/jm900517t BindingDB Entry DOI: 10.7270/Q2X928P4 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Genome polyprotein [2420-2989,R2920E,R2963Q] (Hepatitis C virus genotype 1b (isolate BK) (HCV)) | BDBM35554 (thiophene scaffold, 21) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 100 | n/a | n/a | n/a | n/a | 7.5 | 23 |
IRBM-MRL Rome | Assay Description Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi... | J Med Chem 52: 5217-27 (2009) Article DOI: 10.1021/jm900517t BindingDB Entry DOI: 10.7270/Q2X928P4 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Genome polyprotein [2420-2989,M2842K,R2963Q] (Hepatitis C virus genotype 1b (isolate BK) (HCV)) | BDBM35554 (thiophene scaffold, 21) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | >500 | n/a | n/a | n/a | n/a | 7.5 | 23 |
IRBM-MRL Rome | Assay Description Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi... | J Med Chem 52: 5217-27 (2009) Article DOI: 10.1021/jm900517t BindingDB Entry DOI: 10.7270/Q2X928P4 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Genome polyprotein [2420-2989,M2833T,R2963Q] (Hepatitis C virus genotype 1b (isolate BK) (HCV)) | BDBM35554 (thiophene scaffold, 21) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 16 | n/a | n/a | n/a | n/a | 7.5 | 23 |
IRBM-MRL Rome | Assay Description Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi... | J Med Chem 52: 5217-27 (2009) Article DOI: 10.1021/jm900517t BindingDB Entry DOI: 10.7270/Q2X928P4 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Genome polyprotein (Hepatitis C virus genotype 2b (isolate HC-J8) (HCV...) | BDBM35554 (thiophene scaffold, 21) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM-MRL Rome | Assay Description Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi... | J Med Chem 52: 5217-27 (2009) Article DOI: 10.1021/jm900517t BindingDB Entry DOI: 10.7270/Q2X928P4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
RNA-directed RNA polymerase (Hepacivirus C) | BDBM35554 (thiophene scaffold, 21) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | 427 | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto Curated by ChEMBL | Assay Description Inhibition of HCV NS5B polymerase L419M mutant | Bioorg Med Chem Lett 20: 4614-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.008 BindingDB Entry DOI: 10.7270/Q2MS3WKN | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
RNA-directed RNA polymerase (Hepacivirus C) | BDBM35554 (thiophene scaffold, 21) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto Curated by ChEMBL | Assay Description Inhibition of HCV NS5B polymerase M414T mutant | Bioorg Med Chem Lett 20: 4614-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.008 BindingDB Entry DOI: 10.7270/Q2MS3WKN | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
RNA-directed RNA polymerase (Hepatitis C virus) | BDBM35554 (thiophene scaffold, 21) | UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company Curated by ChEMBL | Assay Description Inhibition of HCV NS5B RNA dependent RNA polymerase | Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein (Hepatitis C virus genotype 1b (strain HC-J4) (HCV)) | BDBM35554 (thiophene scaffold, 21) | PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Idenix SARL, an MSD Company Curated by ChEMBL | Assay Description Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase | Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |