BDBM50115579 (Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid::2-Hydroxy-4-oxo-4-phenyl-but-2-enoic acid::2-Hydroxy-4-oxo-4-phenyl-but-2-enoic acid (0.25H2O)::CHEMBL16326::CHEMBL19332::CHEMBL467389::Sacchettini_CTRL

SMILES OC(=O)C(=O)CC(=O)c1ccccc1

InChI Key InChIKey=JGKFWCXVYCDKDU-UHFFFAOYSA-N

Data  5 KI  23 IC50  1 EC50

PDB links: 6 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50115579   

TargetPA/PB1(Hepatitis C virus)
University of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM50115579((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
Affinity DataKi:  480nMAssay Description:Binding affinity to PA N-terminal domain (Competitive)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50115579((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
Affinity DataKi:  3.35E+3nMAssay Description:Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50115579((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
Affinity DataKi:  4.30E+3nMAssay Description:Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50115579((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
Affinity DataKi:  6.79E+3nMAssay Description:Inhibition of human CA9 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50115579((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
Affinity DataKi:  7.75E+3nMAssay Description:Inhibition of human CA12 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow techniqueMore data for this Ligand-Target Pair
TargetHepatitis C virus NS5B RNA-dependent RNA polymerase(Hepatitis C virus)
Italy. Vinc

Curated by ChEMBL
LigandPNGBDBM50115579((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
Affinity DataIC50: 5.70E+3nMAssay Description:Inhibitory concentration required to inhibit HCV RNA dependent RNA polymerase Nonstructural protein 5B is determinedMore data for this Ligand-Target Pair
TargetHuman immunodeficiency virus type 1 reverse transcriptase(Human immunodeficiency virus 1)
Université des Sciences et Technologies de Lille

Curated by ChEMBL
LigandPNGBDBM50115579((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
Affinity DataIC50: 2.50E+4nMAssay Description:Concentration required to inhibit strand transfer of HIV-1 integrase using Mn2+ as a divalent cation source.More data for this Ligand-Target Pair
TargetHepatitis C virus NS5B RNA-dependent RNA polymerase(Hepatitis C virus)
Italy. Vinc

Curated by ChEMBL
LigandPNGBDBM50115579((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
Affinity DataIC50: 5.60E+3nMpH: 7.5Assay Description:Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)More data for this Ligand-Target Pair
TargetHuman immunodeficiency virus type 1 integrase(Human immunodeficiency virus 1)
Università di Messina

Curated by ChEMBL
LigandPNGBDBM50115579((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
Affinity DataIC50: 2.42E+4nMAssay Description:Strand transfer inhibitory activity against HIV-1 integraseMore data for this Ligand-Target Pair
TargetHuman immunodeficiency virus type 1 integrase(Human immunodeficiency virus 1)
Università di Messina

Curated by ChEMBL
LigandPNGBDBM50115579((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
Affinity DataIC50: 3.33E+5nMAssay Description:Inhibition of HIV1 integrase 3' processing activityMore data for this Ligand-Target Pair
TargetHuman immunodeficiency virus type 1 integrase(Human immunodeficiency virus 1)
Università di Messina

Curated by ChEMBL
LigandPNGBDBM50115579((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
Affinity DataIC50: 6.90E+4nMAssay Description:Inhibition of HIV1 integrase strand transfer activityMore data for this Ligand-Target Pair
TargetHuman immunodeficiency virus type 1 integrase(Human immunodeficiency virus 1)
Università di Messina

Curated by ChEMBL
LigandPNGBDBM50115579((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
Affinity DataIC50: 8.20E+4nMAssay Description:Inhibition of HIV1 integrase 3' processing activity in presence of exogenous cobalt ionMore data for this Ligand-Target Pair
TargetHuman immunodeficiency virus type 1 integrase(Human immunodeficiency virus 1)
Università di Messina

Curated by ChEMBL
LigandPNGBDBM50115579((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
Affinity DataIC50: 8.00E+4nMAssay Description:Inhibition of HIV1 integrase strand transfer activity in presence of exogenous cobalt ionMore data for this Ligand-Target Pair
TargetPA/PB1(Hepatitis C virus)
University of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM50115579((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
Affinity DataIC50: 2.13E+4nMAssay Description:Inhibitory concentration against cap-dependent endonuclease activity of influenza virus RNPMore data for this Ligand-Target Pair
TargetFlap endonuclease 1(Homo sapiens (Human))
Athersys Inc

Curated by ChEMBL
LigandPNGBDBM50115579((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
Affinity DataIC50: 2.49E+4nMAssay Description:Concentration required for 50% inhibition of Flap endonuclease-1More data for this Ligand-Target Pair
TargetDNA excision repair protein ERCC-5(Homo sapiens (Human))
Athersys Inc

Curated by ChEMBL
LigandPNGBDBM50115579((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
Affinity DataIC50: 7.54E+4nMAssay Description:Concentration required for 50% inhibition of Xeroderma pigmentosum GMore data for this Ligand-Target Pair
TargetProtein-tyrosine phosphatase 1B(Homo sapiens (Human))
Max Planck Institute of Molecular Physiology

Curated by ChEMBL
LigandPNGBDBM50115579((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of PTP1BMore data for this Ligand-Target Pair
TargetHuman immunodeficiency virus type 1 integrase(Human immunodeficiency virus 1)
Università di Messina

Curated by ChEMBL
LigandPNGBDBM50115579((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibitory effect on 3'-processing(3'-P) of proviral DNA in an extracellular HIV-1 integrase assayMore data for this Ligand-Target Pair
TargetHuman immunodeficiency virus type 1 integrase(Human immunodeficiency virus 1)
Università di Messina

Curated by ChEMBL
LigandPNGBDBM50115579((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay in experiment 2More data for this Ligand-Target Pair
TargetHuman immunodeficiency virus type 1 integrase(Human immunodeficiency virus 1)
Università di Messina

Curated by ChEMBL
LigandPNGBDBM50115579((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
Affinity DataIC50: 2.42E+4nMAssay Description:Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay in experiment 1More data for this Ligand-Target Pair
TargetGenome polyprotein(Hepatitis C virus (HCV))
University of Wollongong

Curated by ChEMBL
LigandPNGBDBM50115579((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
Affinity DataIC50: 5.70E+3nMAssay Description:Inhibitory concentration against hepatitis C virus polymeraseMore data for this Ligand-Target Pair
TargetPA/PB1(Hepatitis C virus)
University of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM50115579((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
Affinity DataEC50:  2.07E+3nMAssay Description:Plaque growth inhibitionMore data for this Ligand-Target Pair
TargetPA/PB1(Hepatitis C virus)
University of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM50115579((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
Affinity DataIC50: 2.13E+4nMAssay Description:Inhibition of cap 1 ALMV primed Influenza transcriptaseMore data for this Ligand-Target Pair
TargetHepatitis C virus NS5B RNA-dependent RNA polymerase(Hepatitis C virus)
Italy. Vinc

Curated by ChEMBL
LigandPNGBDBM50115579((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
Affinity DataIC50: 5.70E+3nMAssay Description:inhibitory concentration against RNA dependent RNA polymerase Nonstructural protein 5B of hepatitis C virusMore data for this Ligand-Target Pair
TargetHuman immunodeficiency virus type 1 integrase(Human immunodeficiency virus 1)
Università di Messina

Curated by ChEMBL
LigandPNGBDBM50115579((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of Integrase catalyzed strand transfer (ST) as measured in an in vitro assayMore data for this Ligand-Target Pair
TargetHuman immunodeficiency virus type 1 reverse transcriptase(Human immunodeficiency virus 1)
Université des Sciences et Technologies de Lille

Curated by ChEMBL
LigandPNGBDBM50115579((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
Affinity DataIC50: 5.40E+4nMAssay Description:Inhibitory activity of the compound against HIV-1 reverse transcriptase was determinedMore data for this Ligand-Target Pair
TargetPolymerase acidic protein(Influenza A virus (strain A/X-31 H3N2))
Polo Universitario SS. Annunziata

Curated by ChEMBL
LigandPNGBDBM50115579((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
Affinity DataIC50: 3.20E+3nMAssay Description:Inhibition of recombinant Influenza A virus (A/X-31(H3N2)) N-terminal 6xHis-tagged PA-Nter (1 to 217 residues) expressed in Escherichia coli BL21-Cod...More data for this Ligand-Target Pair
TargetGlcB(Homo sapiens (Human))
D3R

LigandPNGBDBM50115579((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
Affinity DataIC50: 2.00E+3nMAssay Description:DNTB-Coupled_Enzyme_AssayMore data for this Ligand-Target Pair
Target InfoPDB
GoogleScholar
TargetHepatitis C virus NS5B RNA-dependent RNA polymerase(Hepatitis C virus)
Italy. Vinc

Curated by ChEMBL
LigandPNGBDBM50115579((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
Affinity DataIC50: 5.70E+3nMAssay Description:Inhibitory activity against Hepatitis C virus RNA dependent RNA polymerase nonstructural protein 5BMore data for this Ligand-Target Pair