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8 similar compounds to monomer 50152554

Compile data set for download or QSAR
Wt: 226.6
BDBM50083934
Purchase
Wt: 261.0
BDBM50152550
Wt: 261.0
BDBM50152552
Wt: 302.7
BDBM50152558
Wt: 337.1
BDBM50152562
Wt: 261.0
BDBM50152568
Purchase
Wt: 261.0
BDBM50152577
Wt: 268.6
BDBM50184626

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50083934,50152550,50152552,50152558,50152562,50152568,50152577,50184626   
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
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
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50184626
PNG
(6-(2-chlorophenyl)-2,4,6-trioxohexanoic acid | CHE...)
Show SMILES OC(=O)C(=O)CC(=O)CC(=O)c1ccccc1Cl
Show InChI InChI=1S/C12H9ClO5/c13-9-4-2-1-3-8(9)10(15)5-7(14)6-11(16)12(17)18/h1-4H,5-6H2,(H,17,18)
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n/an/a 1.00E+3n/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
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))
BDBM50152552
PNG
(4-(2,3-Dichloro-phenyl)-2,4-dioxo-butyric acid | C...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C10H6Cl2O4/c11-6-3-1-2-5(9(6)12)7(13)4-8(14)10(15)16/h1-3H,4H2,(H,15,16)
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n/an/a 1.77E+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
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50152550
PNG
(4-(2,6-Dichloro-phenyl)-2,4-dioxo-butyric acid | C...)
Show SMILES OC(=O)C(=O)CC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C10H6Cl2O4/c11-5-2-1-3-6(12)9(5)7(13)4-8(14)10(15)16/h1-3H,4H2,(H,15,16)
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n/an/a 3.79E+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
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50152558
PNG
(4-(4-Chloro-biphenyl-3-yl)-2,4-dioxo-butyric acid ...)
Show SMILES OC(=O)C(=O)CC(=O)c1cc(ccc1Cl)-c1ccccc1
Show InChI InChI=1S/C16H11ClO4/c17-13-7-6-11(10-4-2-1-3-5-10)8-12(13)14(18)9-15(19)16(20)21/h1-8H,9H2,(H,20,21)
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n/an/a 330n/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))
BDBM50152562
PNG
(4-(3,4''-Dichloro-biphenyl-4-yl)-2,4-dioxo-butyric...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(cc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H10Cl2O4/c17-11-4-1-9(2-5-11)10-3-6-12(13(18)7-10)14(19)8-15(20)16(21)22/h1-7H,8H2,(H,21,22)
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n/an/a 1.77E+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))
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
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50152568
PNG
(4-(2,4-Dichloro-phenyl)-2,4-dioxo-butyric acid | C...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C10H6Cl2O4/c11-5-1-2-6(7(12)3-5)8(13)4-9(14)10(15)16/h1-3H,4H2,(H,15,16)
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n/an/a 5.53E+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))
BDBM50152552
PNG
(4-(2,3-Dichloro-phenyl)-2,4-dioxo-butyric acid | C...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C10H6Cl2O4/c11-6-3-1-2-5(9(6)12)7(13)4-8(14)10(15)16/h1-3H,4H2,(H,15,16)
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n/an/a 2.21E+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))
BDBM50152562
PNG
(4-(3,4''-Dichloro-biphenyl-4-yl)-2,4-dioxo-butyric...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(cc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H10Cl2O4/c17-11-4-1-9(2-5-11)10-3-6-12(13(18)7-10)14(19)8-15(20)16(21)22/h1-7H,8H2,(H,21,22)
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n/an/a 410n/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))
BDBM50152577
PNG
(4-(2,5-Dichloro-phenyl)-2,4-dioxo-butyric acid | C...)
Show SMILES OC(=O)C(=O)CC(=O)c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C10H6Cl2O4/c11-5-1-2-7(12)6(3-5)8(13)4-9(14)10(15)16/h1-3H,4H2,(H,15,16)
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n/an/a 7.00E+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
DNA excision repair protein ERCC-5


(Homo sapiens (Human))
BDBM50152558
PNG
(4-(4-Chloro-biphenyl-3-yl)-2,4-dioxo-butyric acid ...)
Show SMILES OC(=O)C(=O)CC(=O)c1cc(ccc1Cl)-c1ccccc1
Show InChI InChI=1S/C16H11ClO4/c17-13-7-6-11(10-4-2-1-3-5-10)8-12(13)14(18)9-15(19)16(20)21/h1-8H,9H2,(H,20,21)
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n/an/a 1.13E+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
DNA excision repair protein ERCC-5


(Homo sapiens (Human))
BDBM50152568
PNG
(4-(2,4-Dichloro-phenyl)-2,4-dioxo-butyric acid | C...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C10H6Cl2O4/c11-5-1-2-6(7(12)3-5)8(13)4-9(14)10(15)16/h1-3H,4H2,(H,15,16)
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n/an/a 9.85E+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))
BDBM50152577
PNG
(4-(2,5-Dichloro-phenyl)-2,4-dioxo-butyric acid | C...)
Show SMILES OC(=O)C(=O)CC(=O)c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C10H6Cl2O4/c11-5-1-2-7(12)6(3-5)8(13)4-9(14)10(15)16/h1-3H,4H2,(H,15,16)
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n/an/a 1.82E+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
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50184626
PNG
(6-(2-chlorophenyl)-2,4,6-trioxohexanoic acid | CHE...)
Show SMILES OC(=O)C(=O)CC(=O)CC(=O)c1ccccc1Cl
Show InChI InChI=1S/C12H9ClO5/c13-9-4-2-1-3-8(9)10(15)5-7(14)6-11(16)12(17)18/h1-4H,5-6H2,(H,17,18)
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n/an/a 200n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of HIV 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
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50184626
PNG
(6-(2-chlorophenyl)-2,4,6-trioxohexanoic acid | CHE...)
Show SMILES OC(=O)C(=O)CC(=O)CC(=O)c1ccccc1Cl
Show InChI InChI=1S/C12H9ClO5/c13-9-4-2-1-3-8(9)10(15)5-7(14)6-11(16)12(17)18/h1-4H,5-6H2,(H,17,18)
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n/an/a 600n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase in pre-integration complex


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
DNA excision repair protein ERCC-5


(Homo sapiens (Human))
BDBM50152550
PNG
(4-(2,6-Dichloro-phenyl)-2,4-dioxo-butyric acid | C...)
Show SMILES OC(=O)C(=O)CC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C10H6Cl2O4/c11-5-2-1-3-6(12)9(5)7(13)4-8(14)10(15)16/h1-3H,4H2,(H,15,16)
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n/an/a>1.00E+5n/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