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BDBM50154442 2-(4-Chloro-phenyl)-5,6-dihydroxy-pyrimidine-4-carboxylic acid::CHEMBL188448

SMILES: OC(=O)c1nc([nH]c(=O)c1O)-c1ccc(Cl)cc1

InChI Key: InChIKey=XNDKQQKHTBDWNQ-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 = 50154442   
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)
BDBM50154442
PNG
(2-(4-Chloro-phenyl)-5,6-dihydroxy-pyrimidine-4-car...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C11H7ClN2O4/c12-6-3-1-5(2-4-6)9-13-7(11(17)18)8(15)10(16)14-9/h1-4,15H,(H,17,18)(H,13,14,16)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90E+4n/an/an/an/an/an/a



Italy. Vinc

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit HCV RNA dependent RNA polymerase Nonstructural protein 5B in the presence of Mg2+ is determined


J Med Chem 47: 5336-9 (2004)


Article DOI: 10.1021/jm0494669
BindingDB Entry DOI: 10.7270/Q2G1609M
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50154442
PNG
(2-(4-Chloro-phenyl)-5,6-dihydroxy-pyrimidine-4-car...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C11H7ClN2O4/c12-6-3-1-5(2-4-6)9-13-7(11(17)18)8(15)10(16)14-9/h1-4,15H,(H,17,18)(H,13,14,16)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Italy. Vinc

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit HCV RNA dependent RNA polymerase Nonstructural protein 5B in the presence of Mn2+ is determined


J Med Chem 47: 5336-9 (2004)


Article DOI: 10.1021/jm0494669
BindingDB Entry DOI: 10.7270/Q2G1609M
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50154442
PNG
(2-(4-Chloro-phenyl)-5,6-dihydroxy-pyrimidine-4-car...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C11H7ClN2O4/c12-6-3-1-5(2-4-6)9-13-7(11(17)18)8(15)10(16)14-9/h1-4,15H,(H,17,18)(H,13,14,16)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Italy. Vinc

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit HIV-integrase is determined


J Med Chem 47: 5336-9 (2004)


Article DOI: 10.1021/jm0494669
BindingDB Entry DOI: 10.7270/Q2G1609M
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50154442
PNG
(2-(4-Chloro-phenyl)-5,6-dihydroxy-pyrimidine-4-car...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C11H7ClN2O4/c12-6-3-1-5(2-4-6)9-13-7(11(17)18)8(15)10(16)14-9/h1-4,15H,(H,17,18)(H,13,14,16)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase p66/p51 polymerase using PPT57 DNA/Cy5-labeled PPT24 as template/primer preincubated for 10 mins followed by...


Bioorg Med Chem 26: 1713-1726 (2018)


Article DOI: 10.1016/j.bmc.2018.02.017
BindingDB Entry DOI: 10.7270/Q270842C
More data for this
Ligand-Target Pair
DNA polymerase I


(Escherichia coli (strain K12))
BDBM50154442
PNG
(2-(4-Chloro-phenyl)-5,6-dihydroxy-pyrimidine-4-car...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C11H7ClN2O4/c12-6-3-1-5(2-4-6)9-13-7(11(17)18)8(15)10(16)14-9/h1-4,15H,(H,17,18)(H,13,14,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Italy. Vinc

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit Klenow DNA-dependent DNA polymerase


J Med Chem 47: 5336-9 (2004)


Article DOI: 10.1021/jm0494669
BindingDB Entry DOI: 10.7270/Q2G1609M
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50154442
PNG
(2-(4-Chloro-phenyl)-5,6-dihydroxy-pyrimidine-4-car...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C11H7ClN2O4/c12-6-3-1-5(2-4-6)9-13-7(11(17)18)8(15)10(16)14-9/h1-4,15H,(H,17,18)(H,13,14,16)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90E+4n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B Cdelta55 RNA dependent RNA polymerase expressed in Escherichia coli assessed as reduction in [3H]UTP incorporation using poly(...


Bioorg Med Chem 26: 1713-1726 (2018)


Article DOI: 10.1016/j.bmc.2018.02.017
BindingDB Entry DOI: 10.7270/Q270842C
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50154442
PNG
(2-(4-Chloro-phenyl)-5,6-dihydroxy-pyrimidine-4-car...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C11H7ClN2O4/c12-6-3-1-5(2-4-6)9-13-7(11(17)18)8(15)10(16)14-9/h1-4,15H,(H,17,18)(H,13,14,16)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+4n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Bioorg Med Chem 26: 1713-1726 (2018)


Article DOI: 10.1016/j.bmc.2018.02.017
BindingDB Entry DOI: 10.7270/Q270842C
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50154442
PNG
(2-(4-Chloro-phenyl)-5,6-dihydroxy-pyrimidine-4-car...)
Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C11H7ClN2O4/c12-6-3-1-5(2-4-6)9-13-7(11(17)18)8(15)10(16)14-9/h1-4,15H,(H,17,18)(H,13,14,16)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+4n/an/an/an/an/an/a



Italy. Vinc

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit HIV-RT is determined


J Med Chem 47: 5336-9 (2004)


Article DOI: 10.1021/jm0494669
BindingDB Entry DOI: 10.7270/Q2G1609M
More data for this
Ligand-Target Pair