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10 similar compounds to monomer 50083940

Compile data set for download or QSAR
Wt: 247.0
BDBM50072245
Purchase
Wt: 261.0
BDBM50072260
Wt: 244.6
BDBM50083948
Wt: 240.6
BDBM50083949
Purchase
Wt: 275.0
BDBM50083954
Purchase
Wt: 226.6
BDBM50083934
Purchase
Wt: 261.0
BDBM50152552
Wt: 261.0
BDBM50152577
Wt: 268.6
BDBM50184637
Wt: 351.1
BDBM50405010

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50072245,50072260,50083948,50083949,50083954,50083934,50152552,50152577,50184637,50405010   
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)
BDBM50072245
PNG
(4-(3,4-Dichloro-phenyl)-4-oxo-butyric acid | CHEMB...)
Show SMILES OC(=O)CCC(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C10H8Cl2O3/c11-7-2-1-6(5-8(7)12)9(13)3-4-10(14)15/h1-2,5H,3-4H2,(H,14,15)
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n/an/a 900n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of rat brain KYN 3-OHase.


Bioorg Med Chem Lett 8: 2907-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00517-4
BindingDB Entry DOI: 10.7270/Q23X874K
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072260
PNG
((Z)-4-(3,4-Dichloro-phenyl)-2-hydroxy-4-oxo-but-2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C10H6Cl2O4/c11-6-2-1-5(3-7(6)12)8(13)4-9(14)10(15)16/h1-3H,4H2,(H,15,16)
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n/an/a 950n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of rat brain KYN 3-OHase.


Bioorg Med Chem Lett 8: 2907-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00517-4
BindingDB Entry DOI: 10.7270/Q23X874K
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072260
PNG
((Z)-4-(3,4-Dichloro-phenyl)-2-hydroxy-4-oxo-but-2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C10H6Cl2O4/c11-6-2-1-5(3-7(6)12)8(13)4-9(14)10(15)16/h1-3H,4H2,(H,15,16)
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n/an/a 1.40E+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)
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
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50083948
PNG
(4-(3-Chloro-4-fluoro-phenyl)-2-hydroxy-4-oxo-but-2...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C10H6ClFO4/c11-6-3-5(1-2-7(6)12)8(13)4-9(14)10(15)16/h1-3H,4H2,(H,15,16)
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n/an/a 270n/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)
BDBM50083949
PNG
(4-(3-Chloro-phenyl)-2-hydroxy-4-oxo-but-2-enoic ac...)
Show SMILES COC(=O)C(=O)CC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C11H9ClO4/c1-16-11(15)10(14)6-9(13)7-3-2-4-8(12)5-7/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)
BDBM50083954
PNG
(4-(3,4-Dichloro-phenyl)-2-hydroxy-4-oxo-but-2-enoi...)
Show SMILES COC(=O)C(=O)CC(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H8Cl2O4/c1-17-11(16)10(15)5-9(14)6-2-3-7(12)8(13)4-6/h2-4H,5H2,1H3
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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
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))
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))
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
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
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)
BDBM50184637
PNG
(6-(3-chlorophenyl)-2,4,6-trioxohexanoic acid | CHE...)
Show SMILES OC(=O)C(=O)CC(=O)CC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C12H9ClO5/c13-8-3-1-2-7(4-8)10(15)5-9(14)6-11(16)12(17)18/h1-4H,5-6H2,(H,17,18)
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n/an/a 8.00E+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
Hydroxyacid oxidase 1


(Homo sapiens (Human))
BDBM50405010
PNG
(CHEMBL18672)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(Cc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C17H12Cl2O4/c18-13-6-3-11(8-14(13)19)7-10-1-4-12(5-2-10)15(20)9-16(21)17(22)23/h1-6,8H,7,9H2,(H,22,23)
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n/an/a 440n/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
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072245
PNG
(4-(3,4-Dichloro-phenyl)-4-oxo-butyric acid | CHEMB...)
Show SMILES OC(=O)CCC(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C10H8Cl2O3/c11-7-2-1-6(5-8(7)12)9(13)3-4-10(14)15/h1-2,5H,3-4H2,(H,14,15)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of rat liver KYN 3-OHase.


Bioorg Med Chem Lett 8: 2907-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00517-4
BindingDB Entry DOI: 10.7270/Q23X874K
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50072260
PNG
((Z)-4-(3,4-Dichloro-phenyl)-2-hydroxy-4-oxo-but-2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C10H6Cl2O4/c11-6-2-1-5(3-7(6)12)8(13)4-9(14)10(15)16/h1-3H,4H2,(H,15,16)
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n/an/a 6.40E+3n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of rat liver KYN 3-OHase.


Bioorg Med Chem Lett 8: 2907-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00517-4
BindingDB Entry DOI: 10.7270/Q23X874K
More data for this
Ligand-Target Pair