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7 similar compounds to monomer 50152575

Compile data set for download or QSAR
Wt: 282.2
BDBM50095503
Wt: 192.1
BDBM50115579
Purchase
Wt: 306.2
BDBM50115582
Wt: 206.1
BDBM50137853
Wt: 220.2
BDBM50137867
Wt: 220.2
BDBM50174495
Wt: 234.2
BDBM50385505

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 40 hits for monomerid = 50095503,50115579,50115582,50137853,50137867,50174495,50385505   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
PA/PB1


(Hepatitis C virus)
BDBM50115579
PNG
((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)
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480n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to PA N-terminal domain (Competitive)


ACS Chem Biol 7: 526-34 (2012)


Article DOI: 10.1021/cb200439z
BindingDB Entry DOI: 10.7270/Q2JQ121G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PA/PB1


(Hepatitis C virus)
BDBM50385505
PNG
(CHEMBL2040555)
Show SMILES Cc1cc(C)c(C(=O)CC(=O)C(O)=O)c(C)c1
Show InChI InChI=1S/C13H14O4/c1-7-4-8(2)12(9(3)5-7)10(14)6-11(15)13(16)17/h4-5H,6H2,1-3H3,(H,16,17)
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2.44E+3n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to PA N-terminal domain (Competitive)


ACS Chem Biol 7: 526-34 (2012)


Article DOI: 10.1021/cb200439z
BindingDB Entry DOI: 10.7270/Q2JQ121G
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50115579
PNG
((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)
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3.35E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay 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 technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
BindingDB Entry DOI: 10.7270/Q2319X0G
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50115579
PNG
((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)
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4.30E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay 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 technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
BindingDB Entry DOI: 10.7270/Q2319X0G
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50115579
PNG
((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)
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6.79E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay 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 technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
BindingDB Entry DOI: 10.7270/Q2319X0G
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50115579
PNG
((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)
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7.75E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay 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 technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
BindingDB Entry DOI: 10.7270/Q2319X0G
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50115579
PNG
((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)
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n/an/a 2.50E+4n/an/an/an/an/an/a



NCI-Frederick

Curated by ChEMBL


Assay Description
Inhibition of Integrase catalyzed strand transfer (ST) as measured in an in vitro assay


Bioorg Med Chem Lett 14: 1205-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.064
BindingDB Entry DOI: 10.7270/Q23X8628
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50095503
PNG
(4-(2-Benzyl-phenyl)-2,4-dioxo-butyric acid | CHEMB...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1Cc1ccccc1
Show InChI InChI=1S/C17H14O4/c18-15(11-16(19)17(20)21)14-9-5-4-8-13(14)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,21)
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n/an/a 5.67E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.


J Med Chem 43: 4923-6 (2001)


Article DOI: 10.1021/jm000176b
BindingDB Entry DOI: 10.7270/Q2930SFS
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50115579
PNG
((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)
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n/an/a 5.70E+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)
BDBM50115579
PNG
((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)
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n/an/a 5.70E+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 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 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50115579
PNG
((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)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Université des Sciences et Technologies de Lille

Curated by ChEMBL


Assay Description
Concentration required to inhibit strand transfer of HIV-1 integrase using Mn2+ as a divalent cation source.


J Med Chem 47: 5583-6 (2004)


Article DOI: 10.1021/jm0408464
BindingDB Entry DOI: 10.7270/Q2JS9PX9
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50174495
PNG
((Z)-4-(2,4-Dimethyl-phenyl)-2-hydroxy-4-oxo-but-2-...)
Show SMILES Cc1ccc(C(=O)CC(=O)C(O)=O)c(C)c1
Show InChI InChI=1S/C12H12O4/c1-7-3-4-9(8(2)5-7)10(13)6-11(14)12(15)16/h3-5H,6H2,1-2H3,(H,15,16)
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n/an/a 2.00E+3n/an/an/an/a7.5n/a



Sapienza University of Rome

Curated by ChEMBL


Assay 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)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50115579
PNG
((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)
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n/an/a 5.60E+3n/an/an/an/a7.5n/a



Sapienza University of Rome

Curated by ChEMBL


Assay 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)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50115582
PNG
((Z)-4-[4-(3-Carboxy-3-hydroxy-acryloyl)-phenyl]-2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(cc1)C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C14H10O8/c15-9(5-11(17)13(19)20)7-1-2-8(4-3-7)10(16)6-12(18)14(21)22/h1-4H,5-6H2,(H,19,20)(H,21,22)
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n/an/a 1.28E+3n/an/an/an/an/an/a



Università di Messina

Curated by ChEMBL


Assay Description
Strand transfer inhibitory activity against HIV-1 integrase


J Med Chem 48: 7084-8 (2005)


Article DOI: 10.1021/jm050549e
BindingDB Entry DOI: 10.7270/Q27W6BR1
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50115579
PNG
((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)
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n/an/a 2.42E+4n/an/an/an/an/an/a



Università di Messina

Curated by ChEMBL


Assay Description
Strand transfer inhibitory activity against HIV-1 integrase


J Med Chem 48: 7084-8 (2005)


Article DOI: 10.1021/jm050549e
BindingDB Entry DOI: 10.7270/Q27W6BR1
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50115579
PNG
((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)
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n/an/a>3.33E+5n/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3' processing activity


J Med Chem 49: 4248-60 (2006)


Article DOI: 10.1021/jm060193m
BindingDB Entry DOI: 10.7270/Q2T15384
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50115579
PNG
((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)
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n/an/a 6.90E+4n/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


J Med Chem 49: 4248-60 (2006)


Article DOI: 10.1021/jm060193m
BindingDB Entry DOI: 10.7270/Q2T15384
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50115579
PNG
((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)
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n/an/a 8.20E+4n/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3' processing activity in presence of exogenous cobalt ion


J Med Chem 49: 4248-60 (2006)


Article DOI: 10.1021/jm060193m
BindingDB Entry DOI: 10.7270/Q2T15384
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50115579
PNG
((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)
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n/an/a 8.00E+4n/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity in presence of exogenous cobalt ion


J Med Chem 49: 4248-60 (2006)


Article DOI: 10.1021/jm060193m
BindingDB Entry DOI: 10.7270/Q2T15384
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50115579
PNG
((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)
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n/an/a 2.13E+4n/an/an/an/an/an/a



Roche Discovery Welwyn

Curated by ChEMBL


Assay Description
Inhibitory concentration against cap-dependent endonuclease activity of influenza virus RNP


J Med Chem 46: 1153-64 (2003)


Article DOI: 10.1021/jm020334u
BindingDB Entry DOI: 10.7270/Q22J6B6V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50115579
PNG
((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)
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n/an/a 2.49E+4n/an/an/an/an/an/a



Athersys Inc

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Flap endonuclease-1


Bioorg Med Chem Lett 14: 4915-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.028
BindingDB Entry DOI: 10.7270/Q2ZC82BF
More data for this
Ligand-Target Pair
DNA excision repair protein ERCC-5


(Homo sapiens (Human))
BDBM50115579
PNG
((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)
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n/an/a 7.54E+4n/an/an/an/an/an/a



Athersys Inc

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Xeroderma pigmentosum G


Bioorg Med Chem Lett 14: 4915-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.028
BindingDB Entry DOI: 10.7270/Q2ZC82BF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50115579
PNG
((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)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Max Planck Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem 19: 2145-55 (2011)


Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50115579
PNG
((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)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute/NIH

Curated by ChEMBL


Assay Description
Inhibitory effect on 3'-processing(3'-P) of proviral DNA in an extracellular HIV-1 integrase assay


J Med Chem 45: 3184-94 (2002)


Article DOI: 10.1021/jm020037p
BindingDB Entry DOI: 10.7270/Q26D5TPD
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50115582
PNG
((Z)-4-[4-(3-Carboxy-3-hydroxy-acryloyl)-phenyl]-2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(cc1)C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C14H10O8/c15-9(5-11(17)13(19)20)7-1-2-8(4-3-7)10(16)6-12(18)14(21)22/h1-4H,5-6H2,(H,19,20)(H,21,22)
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n/an/a 7.20E+3n/an/an/an/an/an/a



National Cancer Institute/NIH

Curated by ChEMBL


Assay Description
Inhibitory effect on 3'-processing(3'-P) of proviral DNA in an extracellular HIV-1 integrase assay in experiment 1


J Med Chem 45: 3184-94 (2002)


Article DOI: 10.1021/jm020037p
BindingDB Entry DOI: 10.7270/Q26D5TPD
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50115582
PNG
((Z)-4-[4-(3-Carboxy-3-hydroxy-acryloyl)-phenyl]-2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(cc1)C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C14H10O8/c15-9(5-11(17)13(19)20)7-1-2-8(4-3-7)10(16)6-12(18)14(21)22/h1-4H,5-6H2,(H,19,20)(H,21,22)
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n/an/a 1.28E+3n/an/an/an/an/an/a



National Cancer Institute/NIH

Curated by ChEMBL


Assay Description
Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay


J Med Chem 45: 3184-94 (2002)


Article DOI: 10.1021/jm020037p
BindingDB Entry DOI: 10.7270/Q26D5TPD
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50115579
PNG
((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)
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n/an/a 2.50E+4n/an/an/an/an/an/a



National Cancer Institute/NIH

Curated by ChEMBL


Assay Description
Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay in experiment 2


J Med Chem 45: 3184-94 (2002)


Article DOI: 10.1021/jm020037p
BindingDB Entry DOI: 10.7270/Q26D5TPD
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50115582
PNG
((Z)-4-[4-(3-Carboxy-3-hydroxy-acryloyl)-phenyl]-2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(cc1)C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C14H10O8/c15-9(5-11(17)13(19)20)7-1-2-8(4-3-7)10(16)6-12(18)14(21)22/h1-4H,5-6H2,(H,19,20)(H,21,22)
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n/an/a 7.50E+3n/an/an/an/an/an/a



National Cancer Institute/NIH

Curated by ChEMBL


Assay Description
Inhibitory effect on 3'-processing(3'-P) of proviral DNA in an extracellular HIV-1 integrase assay in experiment 2


J Med Chem 45: 3184-94 (2002)


Article DOI: 10.1021/jm020037p
BindingDB Entry DOI: 10.7270/Q26D5TPD
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50115579
PNG
((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)
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n/an/a 2.42E+4n/an/an/an/an/an/a



National Cancer Institute/NIH

Curated by ChEMBL


Assay Description
Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay in experiment 1


J Med Chem 45: 3184-94 (2002)


Article DOI: 10.1021/jm020037p
BindingDB Entry DOI: 10.7270/Q26D5TPD
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))
BDBM50115579
PNG
((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)
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n/an/a 5.70E+3n/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibitory concentration against hepatitis C virus polymerase


J Med Chem 48: 1-20 (2005)


Article DOI: 10.1021/jm0400101
BindingDB Entry DOI: 10.7270/Q2XP75Q1
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50115579
PNG
((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)
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n/an/an/an/a 2.07E+3n/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Plaque growth inhibition


ACS Chem Biol 7: 526-34 (2012)


Article DOI: 10.1021/cb200439z
BindingDB Entry DOI: 10.7270/Q2JQ121G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PA/PB1


(Hepatitis C virus)
BDBM50385505
PNG
(CHEMBL2040555)
Show SMILES Cc1cc(C)c(C(=O)CC(=O)C(O)=O)c(C)c1
Show InChI InChI=1S/C13H14O4/c1-7-4-8(2)12(9(3)5-7)10(14)6-11(15)13(16)17/h4-5H,6H2,1-3H3,(H,16,17)
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n/an/an/an/a 8.17E+3n/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Plaque growth inhibition


ACS Chem Biol 7: 526-34 (2012)


Article DOI: 10.1021/cb200439z
BindingDB Entry DOI: 10.7270/Q2JQ121G
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50115579
PNG
((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)
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n/an/a 2.13E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cap 1 ALMV primed Influenza transcriptase


Antimicrob Agents Chemother 38: 2827-37 (1995)


Article DOI: 10.1128/aac.38.12.2827
BindingDB Entry DOI: 10.7270/Q25H7HBP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50115579
PNG
((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)
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n/an/a 5.40E+4n/an/an/an/an/an/a



Italy. Vinc

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against HIV-1 reverse transcriptase was determined


J Med Chem 47: 14-7 (2003)


Article DOI: 10.1021/jm0342109
BindingDB Entry DOI: 10.7270/Q2736QB8
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50137867
PNG
(4-(4-Ethyl-phenyl)-2,4-dioxo-butyric acid | 4-(4-e...)
Show SMILES CCc1ccc(cc1)C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C12H12O4/c1-2-8-3-5-9(6-4-8)10(13)7-11(14)12(15)16/h3-6H,2,7H2,1H3,(H,15,16)
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n/an/a 4.70E+4n/an/an/an/an/an/a



Italy. Vinc

Curated by ChEMBL


Assay Description
Inhibitory activity against Hepatitis C virus RNA dependent RNA polymerase nonstructural protein 5B


J Med Chem 47: 14-7 (2003)


Article DOI: 10.1021/jm0342109
BindingDB Entry DOI: 10.7270/Q2736QB8
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50137853
PNG
(2,4-Dioxo-4-p-tolyl-butyric acid | 2,4-dioxo-4-p-t...)
Show SMILES Cc1ccc(cc1)C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C11H10O4/c1-7-2-4-8(5-3-7)9(12)6-10(13)11(14)15/h2-5H,6H2,1H3,(H,14,15)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Italy. Vinc

Curated by ChEMBL


Assay Description
Inhibitory activity against Hepatitis C virus RNA dependent RNA polymerase nonstructural protein 5B


J Med Chem 47: 14-7 (2003)


Article DOI: 10.1021/jm0342109
BindingDB Entry DOI: 10.7270/Q2736QB8
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50115579
PNG
((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)
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n/an/a 5.70E+3n/an/an/an/an/an/a



Italy. Vinc

Curated by ChEMBL


Assay Description
Inhibitory activity against Hepatitis C virus RNA dependent RNA polymerase nonstructural protein 5B


J Med Chem 47: 14-7 (2003)


Article DOI: 10.1021/jm0342109
BindingDB Entry DOI: 10.7270/Q2736QB8
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))
BDBM50115579
PNG
((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)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Polo Universitario SS. Annunziata

Curated by ChEMBL


Assay 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...


Bioorg Med Chem 26: 4544-4550 (2018)


Article DOI: 10.1016/j.bmc.2018.07.046
BindingDB Entry DOI: 10.7270/Q2TM7DS6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GlcB


(Homo sapiens (Human))
BDBM50115579
PNG
((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)
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D3R
n/an/a 2.00E+3n/an/an/an/an/an/a



D3R



Assay Description
DNTB-Coupled_Enzyme_Assay


D3R 223: (2015)


BindingDB Entry DOI: 10.7270/Q2NC602G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GlcB


(Homo sapiens (Human))
BDBM50137853
PNG
(2,4-Dioxo-4-p-tolyl-butyric acid | 2,4-dioxo-4-p-t...)
Show SMILES Cc1ccc(cc1)C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C11H10O4/c1-7-2-4-8(5-3-7)9(12)6-10(13)11(14)15/h2-5H,6H2,1H3,(H,14,15)
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D3R
n/an/a 6.00E+3n/an/an/an/an/an/a



D3R



Assay Description
DNTB-Coupled_Enzyme_Assay


D3R 223: (2015)


BindingDB Entry DOI: 10.7270/Q2NC602G
More data for this
Ligand-Target Pair