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BDBM50153250 5,6-Dihydroxy-2-thiophen-2-yl-pyrimidine-4-carboxylic acid::5,6-dihydroxy-2-(2-thienyl)pyrimidine-4-carboxylic Acid::5,6-dihydroxy-2-(thiophen-2-yl)pyrimidine-4-carboxylic acid::CHEMBL181653

SMILES: OC(=O)c1nc([nH]c(=O)c1O)-c1cccs1

InChI Key: InChIKey=SSOGKSFNCMYOPA-UHFFFAOYSA-N

Data: 8 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50153250   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50153250
PNG
(5,6-Dihydroxy-2-thiophen-2-yl-pyrimidine-4-carboxy...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1cccs1
Show InChI InChI=1S/C9H6N2O4S/c12-6-5(9(14)15)10-7(11-8(6)13)4-2-1-3-16-4/h1-3,12H,(H,14,15)(H,10,11,13)
UniProtKB/TrEMBL

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UniChem
Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



MRL Rome

Curated by ChEMBL


Assay Description
inhibitory concentration against RNA dependent RNA polymerase Nonstructural protein 5B of hepatitis C virus


Bioorg Med Chem Lett 14: 5085-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.075
BindingDB Entry DOI: 10.7270/Q27P8XV3
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50153250
PNG
(5,6-Dihydroxy-2-thiophen-2-yl-pyrimidine-4-carboxy...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1cccs1
Show InChI InChI=1S/C9H6N2O4S/c12-6-5(9(14)15)10-7(11-8(6)13)4-2-1-3-16-4/h1-3,12H,(H,14,15)(H,10,11,13)
UniProtKB/TrEMBL

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UniChem
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n/an/a 2.60E+3n/an/an/an/an/an/a



P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase involving magnesium chelation


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50153250
PNG
(5,6-Dihydroxy-2-thiophen-2-yl-pyrimidine-4-carboxy...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1cccs1
Show InChI InChI=1S/C9H6N2O4S/c12-6-5(9(14)15)10-7(11-8(6)13)4-2-1-3-16-4/h1-3,12H,(H,14,15)(H,10,11,13)
UniProtKB/TrEMBL

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n/an/a 2.60E+3n/an/an/an/an/an/a



P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Deoxyribonuclease-1


(Homo sapiens (Human))
BDBM50153250
PNG
(5,6-Dihydroxy-2-thiophen-2-yl-pyrimidine-4-carboxy...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1cccs1
Show InChI InChI=1S/C9H6N2O4S/c12-6-5(9(14)15)10-7(11-8(6)13)4-2-1-3-16-4/h1-3,12H,(H,14,15)(H,10,11,13)
PDB

UniProtKB/SwissProt

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n/an/a>1.00E+5n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of DNAse1 (unknown origin)


Bioorg Med Chem Lett 25: 4104-8 (2015)


BindingDB Entry DOI: 10.7270/Q28S4RQ2
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50153250
PNG
(5,6-Dihydroxy-2-thiophen-2-yl-pyrimidine-4-carboxy...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1cccs1
Show InChI InChI=1S/C9H6N2O4S/c12-6-5(9(14)15)10-7(11-8(6)13)4-2-1-3-16-4/h1-3,12H,(H,14,15)(H,10,11,13)
UniProtKB/TrEMBL

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n/an/a 240n/an/an/an/an/an/a



P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase involving manganese chelation


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50153250
PNG
(5,6-Dihydroxy-2-thiophen-2-yl-pyrimidine-4-carboxy...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1cccs1
Show InChI InChI=1S/C9H6N2O4S/c12-6-5(9(14)15)10-7(11-8(6)13)4-2-1-3-16-4/h1-3,12H,(H,14,15)(H,10,11,13)
UniProtKB/TrEMBL

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UniChem
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PubMed
n/an/a 9.30E+3n/an/an/an/an/an/a



P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55-R158M mutant RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50153250
PNG
(5,6-Dihydroxy-2-thiophen-2-yl-pyrimidine-4-carboxy...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1cccs1
Show InChI InChI=1S/C9H6N2O4S/c12-6-5(9(14)15)10-7(11-8(6)13)4-2-1-3-16-4/h1-3,12H,(H,14,15)(H,10,11,13)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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n/an/a 1.04E+4n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of FEN1 (unknown origin)


Bioorg Med Chem Lett 25: 4104-8 (2015)


BindingDB Entry DOI: 10.7270/Q28S4RQ2
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50153250
PNG
(5,6-Dihydroxy-2-thiophen-2-yl-pyrimidine-4-carboxy...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1cccs1
Show InChI InChI=1S/C9H6N2O4S/c12-6-5(9(14)15)10-7(11-8(6)13)4-2-1-3-16-4/h1-3,12H,(H,14,15)(H,10,11,13)
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PC cid
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n/an/a 9.20E+4n/an/an/an/an/an/a



P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b BK NS5B deltaC55-R158K mutant RNA polymerase


J Med Chem 49: 1693-705 (2006)


Article DOI: 10.1021/jm051064t
BindingDB Entry DOI: 10.7270/Q2QJ7GWR
More data for this
Ligand-Target Pair