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3 similar compounds to monomer 50405004

Compile data set for download or QSAR
Wt: 271.0
BDBM50083953
Wt: 285.0
BDBM50083937
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Wt: 268.2
BDBM50152559

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50083953,50083937,50152559   
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
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50083953
PNG
((Z)-4-(3-Bromo-phenyl)-2-hydroxy-4-oxo-but-2-enoic...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C10H7BrO4/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-4H,5H2,(H,14,15)
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n/an/a 2.50E+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
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50083937
PNG
(4-(4-Bromo-phenyl)-2-hydroxy-4-oxo-but-2-enoic aci...)
Show SMILES COC(=O)C(=O)CC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C11H9BrO4/c1-16-11(15)10(14)6-9(13)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3
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n/an/a 1.90E+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
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50083953
PNG
((Z)-4-(3-Bromo-phenyl)-2-hydroxy-4-oxo-but-2-enoic...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C10H7BrO4/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-4H,5H2,(H,14,15)
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n/an/a 1.70E+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
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
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
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
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50083953
PNG
((Z)-4-(3-Bromo-phenyl)-2-hydroxy-4-oxo-but-2-enoic...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C10H7BrO4/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-4H,5H2,(H,14,15)
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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)
BDBM50083953
PNG
((Z)-4-(3-Bromo-phenyl)-2-hydroxy-4-oxo-but-2-enoic...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C10H7BrO4/c11-7-3-1-2-6(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



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
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
GlcB


(Homo sapiens (Human))
BDBM50083953
PNG
((Z)-4-(3-Bromo-phenyl)-2-hydroxy-4-oxo-but-2-enoic...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C10H7BrO4/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-4H,5H2,(H,14,15)
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D3R
n/an/a 800n/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)
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50083953
PNG
((Z)-4-(3-Bromo-phenyl)-2-hydroxy-4-oxo-but-2-enoic...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Br)c1
Show InChI InChI=1S/C10H7BrO4/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-4H,5H2,(H,14,15)
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n/an/a 2.00E+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 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