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15 similar compounds to monomer 50115579

Compile data set for download or QSAR
Wt: 226.6
BDBM50083934
Purchase
Wt: 306.2
BDBM50115580
Wt: 306.2
BDBM50115582
Wt: 274.3
BDBM50125793
Wt: 206.1
BDBM50125832
Purchase
Wt: 206.1
BDBM50137853
Wt: 220.2
BDBM50137867
Wt: 248.2
BDBM50137877
Wt: 268.2
BDBM50152559
Wt: 206.1
BDBM50152575
Wt: 206.1
BDBM50174491
Wt: 234.2
BDBM50184634
Wt: 260.1
BDBM50341991
Wt: 178.1
BDBM50385525
Purchase
Wt: 318.4
BDBM50404999

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 42 hits for monomerid = 50083934,50115580,50115582,50125793,50125832,50137853,50137867,50137877,50152559,50152575,50174491,50184634,50341991,50385525,50404999   
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)
BDBM50152559
PNG
(4-Biphenyl-4-yl-2,4-dioxo-butyric acid | CHEMBL182...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H12O4/c17-14(10-15(18)16(19)20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20)
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960n/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
PA/PB1


(Hepatitis C virus)
BDBM50152575
PNG
(2,4-Dioxo-4-o-tolyl-butyric acid | CHEMBL1829214 |...)
Show SMILES Cc1ccccc1C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C11H10O4/c1-7-4-2-3-5-8(7)9(12)6-10(13)11(14)15/h2-5H,6H2,1H3,(H,14,15)
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2.00E+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
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
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50125832
PNG
((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid meth...)
Show SMILES COC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C11H10O4/c1-15-11(14)10(13)7-9(12)8-5-3-2-4-6-8/h2-6H,7H2,1H3
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n/an/a>5.00E+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)
BDBM50137877
PNG
(4-(4-tert-Butyl-phenyl)-2,4-dioxo-butyric acid | 4...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C14H16O4/c1-14(2,3)10-6-4-9(5-7-10)11(15)8-12(16)13(17)18/h4-7H,8H2,1-3H3,(H,17,18)
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n/an/a>5.00E+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)
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)
BDBM50174491
PNG
((Z)-2-Hydroxy-4-oxo-4-m-tolyl-but-2-enoic acid | C...)
Show SMILES Cc1cccc(c1)C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C11H10O4/c1-7-3-2-4-8(5-7)9(12)6-10(13)11(14)15/h2-5H,6H2,1H3,(H,14,15)
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n/an/a 1.20E+4n/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)
BDBM50115580
PNG
((Z)-4-[3-(3-Carboxy-3-hydroxy-acryloyl)-phenyl]-2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(c1)C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C14H10O8/c15-9(5-11(17)13(19)20)7-2-1-3-8(4-7)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 1.80E+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)
BDBM50125832
PNG
((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid meth...)
Show SMILES COC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C11H10O4/c1-15-11(14)10(13)7-9(12)8-5-3-2-4-6-8/h2-6H,7H2,1H3
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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 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)
BDBM50125832
PNG
((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid meth...)
Show SMILES COC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C11H10O4/c1-15-11(14)10(13)7-9(12)8-5-3-2-4-6-8/h2-6H,7H2,1H3
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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
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50083934
PNG
(4-(4-Chloro-phenyl)-2-hydroxy-4-oxo-but-2-enoic ac...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H7ClO4/c11-7-3-1-6(2-4-7)8(12)5-9(13)10(14)15/h1-4H,5H2,(H,14,15)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Kynurenine-3-hydroxylase enzyme isolated from the rat liver


J Med Chem 43: 123-7 (2000)


Article DOI: 10.1021/jm990396t
BindingDB Entry DOI: 10.7270/Q2RX9B9B
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50125793
PNG
(4-(4-Cyclohexyl-phenyl)-2-hydroxy-4-oxo-but-2-enoi...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C16H18O4/c17-14(10-15(18)16(19)20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,19,20)
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PubMed
n/an/a 5.00E+3n/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
PA/PB1


(Hepatitis C virus)
BDBM50125832
PNG
((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid meth...)
Show SMILES COC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C11H10O4/c1-15-11(14)10(13)7-9(12)8-5-3-2-4-6-8/h2-6H,7H2,1H3
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n/an/a>5.00E+5n/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
DNA excision repair protein ERCC-5


(Homo sapiens (Human))
BDBM50083934
PNG
(4-(4-Chloro-phenyl)-2-hydroxy-4-oxo-but-2-enoic ac...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H7ClO4/c11-7-3-1-6(2-4-7)8(12)5-9(13)10(14)15/h1-4H,5H2,(H,14,15)
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n/an/a 1.27E+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
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50152559
PNG
(4-Biphenyl-4-yl-2,4-dioxo-butyric acid | CHEMBL182...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H12O4/c17-14(10-15(18)16(19)20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20)
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n/an/a 3.50E+3n/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
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50083934
PNG
(4-(4-Chloro-phenyl)-2-hydroxy-4-oxo-but-2-enoic ac...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H7ClO4/c11-7-3-1-6(2-4-7)8(12)5-9(13)10(14)15/h1-4H,5H2,(H,14,15)
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n/an/a 1.93E+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))
BDBM50152575
PNG
(2,4-Dioxo-4-o-tolyl-butyric acid | CHEMBL1829214 |...)
Show SMILES Cc1ccccc1C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C11H10O4/c1-7-4-2-3-5-8(7)9(12)6-10(13)11(14)15/h2-5H,6H2,1H3,(H,14,15)
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n/an/a 5.45E+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
DNA excision repair protein ERCC-5


(Homo sapiens (Human))
BDBM50152559
PNG
(4-Biphenyl-4-yl-2,4-dioxo-butyric acid | CHEMBL182...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H12O4/c17-14(10-15(18)16(19)20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20)
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n/an/a 1.60E+3n/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
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50152575
PNG
(2,4-Dioxo-4-o-tolyl-butyric acid | CHEMBL1829214 |...)
Show SMILES Cc1ccccc1C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C11H10O4/c1-7-4-2-3-5-8(7)9(12)6-10(13)11(14)15/h2-5H,6H2,1H3,(H,14,15)
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n/an/a 1.29E+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
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50341991
PNG
(2,4-dioxo-4-(4-(trifluoromethyl)phenyl)butanoic ac...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C11H7F3O4/c12-11(13,14)7-3-1-6(2-4-7)8(15)5-9(16)10(17)18/h1-4H,5H2,(H,17,18)
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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)
BDBM50115580
PNG
((Z)-4-[3-(3-Carboxy-3-hydroxy-acryloyl)-phenyl]-2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(c1)C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C14H10O8/c15-9(5-11(17)13(19)20)7-2-1-3-8(4-7)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 1.83E+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)
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)
BDBM50115580
PNG
((Z)-4-[3-(3-Carboxy-3-hydroxy-acryloyl)-phenyl]-2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(c1)C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C14H10O8/c15-9(5-11(17)13(19)20)7-2-1-3-8(4-7)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 7.80E+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


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)
BDBM50184634
PNG
(2,4,6-trioxo-6-phenylhexanoic acid | CHEMBL448424)
Show SMILES OC(=O)C(=O)CC(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C12H10O5/c13-9(7-11(15)12(16)17)6-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,16,17)
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n/an/a 8.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase


Bioorg Med Chem Lett 16: 2920-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.010
BindingDB Entry DOI: 10.7270/Q2BV7HDK
More data for this
Ligand-Target Pair
Hydroxyacid oxidase 1


(Homo sapiens (Human))
BDBM50404999
PNG
(CHEMBL282502)
Show SMILES CCCCCCCCCc1ccc(cc1)C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C19H26O4/c1-2-3-4-5-6-7-8-9-15-10-12-16(13-11-15)17(20)14-18(21)19(22)23/h10-13H,2-9,14H2,1H3,(H,22,23)
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n/an/a 600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Glycolate oxidase


J Med Chem 26: 1196-200 (1983)


Article DOI: 10.1021/jm00362a020
BindingDB Entry DOI: 10.7270/Q27082K8
More data for this
Ligand-Target Pair
Hydroxyacid oxidase 1


(Homo sapiens (Human))
BDBM50125793
PNG
(4-(4-Cyclohexyl-phenyl)-2-hydroxy-4-oxo-but-2-enoi...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C16H18O4/c17-14(10-15(18)16(19)20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,19,20)
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n/an/a 3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Glycolate oxidase


J Med Chem 26: 1196-200 (1983)


Article DOI: 10.1021/jm00362a020
BindingDB Entry DOI: 10.7270/Q27082K8
More data for this
Ligand-Target Pair
Hydroxyacid oxidase 1


(Homo sapiens (Human))
BDBM50152559
PNG
(4-Biphenyl-4-yl-2,4-dioxo-butyric acid | CHEMBL182...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H12O4/c17-14(10-15(18)16(19)20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20)
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n/an/a 1.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Glycolate oxidase


J Med Chem 26: 1196-200 (1983)


Article DOI: 10.1021/jm00362a020
BindingDB Entry DOI: 10.7270/Q27082K8
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50152559
PNG
(4-Biphenyl-4-yl-2,4-dioxo-butyric acid | CHEMBL182...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H12O4/c17-14(10-15(18)16(19)20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20)
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n/an/an/an/a 3.56E+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)
BDBM50152575
PNG
(2,4-Dioxo-4-o-tolyl-butyric acid | CHEMBL1829214 |...)
Show SMILES Cc1ccccc1C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C11H10O4/c1-7-4-2-3-5-8(7)9(12)6-10(13)11(14)15/h2-5H,6H2,1H3,(H,14,15)
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n/an/an/an/a 6.80E+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)
BDBM50125832
PNG
((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid meth...)
Show SMILES COC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C11H10O4/c1-15-11(14)10(13)7-9(12)8-5-3-2-4-6-8/h2-6H,7H2,1H3
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n/an/an/an/a>2.50E+5n/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)
BDBM50385525
PNG
(CHEMBL461681)
Show SMILES OC(=O)CCC(=O)c1ccccc1
Show InChI InChI=1S/C10H10O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)
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n/an/an/an/a>2.50E+5n/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)
BDBM50152559
PNG
(4-Biphenyl-4-yl-2,4-dioxo-butyric acid | CHEMBL182...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H12O4/c17-14(10-15(18)16(19)20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20)
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n/an/a 3.70E+3n/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
PA/PB1


(Hepatitis C virus)
BDBM50385525
PNG
(CHEMBL461681)
Show SMILES OC(=O)CCC(=O)c1ccccc1
Show InChI InChI=1S/C10H10O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)
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n/an/a>5.00E+5n/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
PA/PB1


(Hepatitis C virus)
BDBM50125832
PNG
((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid meth...)
Show SMILES COC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C11H10O4/c1-15-11(14)10(13)7-9(12)8-5-3-2-4-6-8/h2-6H,7H2,1H3
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n/an/a>5.00E+5n/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
Ubiquitin carboxyl-terminal hydrolase 5


(Homo sapiens (Human))
BDBM50385525
PNG
(CHEMBL461681)
Show SMILES OC(=O)CCC(=O)c1ccccc1
Show InChI InChI=1S/C10H10O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)
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n/an/an/a 6.80E+5n/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal Avitag-fused His6-tagged USP5 ZnF-UBD (unknown origin) (171 to 290 residues) labelled with 5-fluorotryptophan expresse...


J Med Chem 62: 10144-10155 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00988
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 5


(Homo sapiens (Human))
BDBM50385525
PNG
(CHEMBL461681)
Show SMILES OC(=O)CCC(=O)c1ccccc1
Show InChI InChI=1S/C10H10O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)
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n/an/an/a 6.80E+5n/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal Avitag-fused His6-tagged USP5 ZnF-UBD (unknown origin) (171 to 290 residues) labelled with 5-fluorotryptophan expresse...


J Med Chem 62: 10144-10155 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00988
More data for this
Ligand-Target Pair
GlcB


(Homo sapiens (Human))
BDBM50152575
PNG
(2,4-Dioxo-4-o-tolyl-butyric acid | CHEMBL1829214 |...)
Show SMILES Cc1ccccc1C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C11H10O4/c1-7-4-2-3-5-8(7)9(12)6-10(13)11(14)15/h2-5H,6H2,1H3,(H,14,15)
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D3R
n/an/a 1.10E+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))
BDBM50174491
PNG
((Z)-2-Hydroxy-4-oxo-4-m-tolyl-but-2-enoic acid | C...)
Show SMILES Cc1cccc(c1)C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C11H10O4/c1-7-3-2-4-8(5-7)9(12)6-10(13)11(14)15/h2-5H,6H2,1H3,(H,14,15)
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D3R
n/an/a 180n/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