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Compile Data Set for Download or QSAR

Found 23 hits of Enz. Inhib. data with enzyme = 'D-Aspartate Oxidase (DDO)' and Substrate = 'BDBM31174'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D-Aspartate Oxidase (DDO)


(Homo sapiens (human))
BDBM31148
PNG
(3-hydroxyquinolin-2(1H)-one, 2 | US9701638, 1)
Show SMILES Oc1cc2ccccc2[nH]c1=O
Show InChI InChI=1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)10-9(8)12/h1-5,11H,(H,10,12)
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n/an/a 855n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-aspartic acid was linke...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
D-Aspartate Oxidase (DDO)


(Homo sapiens (human))
BDBM31149
PNG
(3-hydroxyquinolin-2(1H)-one, 3)
Show SMILES Oc1cc2cccc(F)c2[nH]c1=O
Show InChI InChI=1S/C9H6FNO2/c10-6-3-1-2-5-4-7(12)9(13)11-8(5)6/h1-4,12H,(H,11,13)
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n/an/a 4.62E+3n/an/an/an/an/an/a



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Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-aspartic acid was linke...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
D-Aspartate Oxidase (DDO)


(Homo sapiens (human))
BDBM31164
PNG
(naphthyridinone analog.,18)
Show SMILES Oc1cc2cccnc2[nH]c1=O
Show InChI InChI=1S/C8H6N2O2/c11-6-4-5-2-1-3-9-7(5)10-8(6)12/h1-4,11H,(H,9,10,12)
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n/an/a>7.64E+3n/an/an/an/an/an/a



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Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-aspartic acid was linke...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
D-Aspartate Oxidase (DDO)


(Homo sapiens (human))
BDBM31151
PNG
(3-hydroxyquinolin-2(1H)-one, 5)
Show SMILES Oc1cc2cc(F)ccc2[nH]c1=O
Show InChI InChI=1S/C9H6FNO2/c10-6-1-2-7-5(3-6)4-8(12)9(13)11-7/h1-4,12H,(H,11,13)
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n/an/a>8.88E+3n/an/an/an/an/an/a



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Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-aspartic acid was linke...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
D-Aspartate Oxidase (DDO)


(Homo sapiens (human))
BDBM31173
PNG
(naphthyridinone analog., 27)
Show SMILES Oc1cc2c(Cl)c(F)cnc2[nH]c1=O
Show InChI InChI=1S/C8H4ClFN2O2/c9-6-3-1-5(13)8(14)12-7(3)11-2-4(6)10/h1-2,13H,(H,11,12,14)
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n/an/a>1.45E+4n/an/an/an/an/an/a



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Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-aspartic acid was linke...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
D-Aspartate Oxidase (DDO)


(Homo sapiens (human))
BDBM31147
PNG
(4H-furo[3,2-b]pyrrole-5-carboxylic acid | 5-carbox...)
Show SMILES OC(=O)c1cc2occc2[nH]1
Show InChI InChI=1S/C7H5NO3/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)
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n/an/a>1.95E+4n/an/an/an/an/an/a



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Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-aspartic acid was linke...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
D-Aspartate Oxidase (DDO)


(Homo sapiens (human))
BDBM31158
PNG
(3-hydroxyquinolin-2(1H)-one, 12)
Show SMILES Cc1ccc2cc(O)c(=O)[nH]c2c1
Show InChI InChI=1S/C10H9NO2/c1-6-2-3-7-5-9(12)10(13)11-8(7)4-6/h2-5,12H,1H3,(H,11,13)
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n/an/a 2.15E+4n/an/an/an/an/an/a



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Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-aspartic acid was linke...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
D-Aspartate Oxidase (DDO)


(Homo sapiens (human))
BDBM31150
PNG
(3-hydroxyquinolin-2(1H)-one, 4)
Show SMILES Oc1cc2ccc(F)cc2[nH]c1=O
Show InChI InChI=1S/C9H6FNO2/c10-6-2-1-5-3-8(12)9(13)11-7(5)4-6/h1-4,12H,(H,11,13)
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n/an/a 2.24E+4n/an/an/an/an/an/a



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Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-aspartic acid was linke...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
D-Aspartate Oxidase (DDO)


(Homo sapiens (human))
BDBM31157
PNG
(3-hydroxyquinolin-2(1H)-one, 11)
Show SMILES Cc1cccc2cc(O)c(=O)[nH]c12
Show InChI InChI=1S/C10H9NO2/c1-6-3-2-4-7-5-8(12)10(13)11-9(6)7/h2-5,12H,1H3,(H,11,13)
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n/an/a 3.16E+4n/an/an/an/an/an/a



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Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-aspartic acid was linke...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
D-Aspartate Oxidase (DDO)


(Homo sapiens (human))
BDBM31169
PNG
(3-hydroxyquinolin-2(1H)-one, 23 | US9701638, 14)
Show SMILES Cc1c(O)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C10H9NO2/c1-6-7-4-2-3-5-8(7)11-10(13)9(6)12/h2-5,12H,1H3,(H,11,13)
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n/an/a 3.23E+4n/an/an/an/an/an/a



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Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-aspartic acid was linke...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
D-Aspartate Oxidase (DDO)


(Homo sapiens (human))
BDBM31165
PNG
(naphthyridinone analog.,19)
Show SMILES Oc1cc2cnccc2[nH]c1=O
Show InChI InChI=1S/C8H6N2O2/c11-7-3-5-4-9-2-1-6(5)10-8(7)12/h1-4,11H,(H,10,12)
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n/an/a>3.60E+4n/an/an/an/an/an/a



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Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-aspartic acid was linke...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
D-Aspartate Oxidase (DDO)


(Homo sapiens (human))
BDBM31172
PNG
(3-hydroxyquinolin-2(1H)-one, 26)
Show SMILES Oc1cc2c(Cl)c(F)ccc2[nH]c1=O
Show InChI InChI=1S/C9H5ClFNO2/c10-8-4-3-7(13)9(14)12-6(4)2-1-5(8)11/h1-3,13H,(H,12,14)
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n/an/a>4.32E+4n/an/an/an/an/an/a



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Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-aspartic acid was linke...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
D-Aspartate Oxidase (DDO)


(Homo sapiens (human))
BDBM31153
PNG
(3-hydroxyquinolin-2(1H)-one, 7)
Show SMILES Oc1cc2cccc(Cl)c2[nH]c1=O
Show InChI InChI=1S/C9H6ClNO2/c10-6-3-1-2-5-4-7(12)9(13)11-8(5)6/h1-4,12H,(H,11,13)
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n/an/a>4.34E+4n/an/an/an/an/an/a



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Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-aspartic acid was linke...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
D-Aspartate Oxidase (DDO)


(Homo sapiens (human))
BDBM31163
PNG
(3-hydroxyquinolin-2(1H)-one, 17)
Show SMILES CCc1cccc2cc(O)c(=O)[nH]c12
Show InChI InChI=1S/C11H11NO2/c1-2-7-4-3-5-8-6-9(13)11(14)12-10(7)8/h3-6,13H,2H2,1H3,(H,12,14)
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Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-aspartic acid was linke...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
D-Aspartate Oxidase (DDO)


(Homo sapiens (human))
BDBM31154
PNG
(3-hydroxyquinolin-2(1H)-one, 8)
Show SMILES Oc1cc2ccc(Cl)cc2[nH]c1=O
Show InChI InChI=1S/C9H6ClNO2/c10-6-2-1-5-3-8(12)9(13)11-7(5)4-6/h1-4,12H,(H,11,13)
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Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-aspartic acid was linke...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
D-Aspartate Oxidase (DDO)


(Homo sapiens (human))
BDBM31155
PNG
(3-hydroxyquinolin-2(1H)-one, 9)
Show SMILES Oc1cc2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C9H6ClNO2/c10-6-1-2-7-5(3-6)4-8(12)9(13)11-7/h1-4,12H,(H,11,13)
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n/an/a>5.00E+4n/an/an/an/an/an/a



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Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-aspartic acid was linke...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
D-Aspartate Oxidase (DDO)


(Homo sapiens (human))
BDBM31168
PNG
(pyridopyrazinone, 22)
Show SMILES Oc1cc2nccnc2[nH]c1=O
Show InChI InChI=1S/C7H5N3O2/c11-5-3-4-6(10-7(5)12)9-2-1-8-4/h1-3,11H,(H,9,10,12)
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Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-aspartic acid was linke...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
D-Aspartate Oxidase (DDO)


(Homo sapiens (human))
BDBM31167
PNG
(naphthyridinone analog.,21)
Show SMILES Oc1cc2ncccc2[nH]c1=O
Show InChI InChI=1S/C8H6N2O2/c11-7-4-6-5(10-8(7)12)2-1-3-9-6/h1-4,11H,(H,10,12)
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Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-aspartic acid was linke...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
D-Aspartate Oxidase (DDO)


(Homo sapiens (human))
BDBM31166
PNG
(naphthyridinone analog.,20)
Show SMILES Oc1cc2ccncc2[nH]c1=O
Show InChI InChI=1S/C8H6N2O2/c11-7-3-5-1-2-9-4-6(5)10-8(7)12/h1-4,11H,(H,10,12)
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Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-aspartic acid was linke...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
D-Aspartate Oxidase (DDO)


(Homo sapiens (human))
BDBM31160
PNG
(3-hydroxyquinolin-2(1H)-one, 14)
Show SMILES Cc1cccc2[nH]c(=O)c(O)cc12
Show InChI InChI=1S/C10H9NO2/c1-6-3-2-4-8-7(6)5-9(12)10(13)11-8/h2-5,12H,1H3,(H,11,13)
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n/an/a 5.46E+4n/an/an/an/an/an/a



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Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-aspartic acid was linke...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
D-Aspartate Oxidase (DDO)


(Homo sapiens (human))
BDBM31161
PNG
(3-hydroxyquinolin-2(1H)-one, 15)
Show SMILES CCc1cccc2[nH]c(=O)c(O)cc12
Show InChI InChI=1S/C11H11NO2/c1-2-7-4-3-5-9-8(7)6-10(13)11(14)12-9/h3-6,13H,2H2,1H3,(H,12,14)
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n/an/a 6.19E+4n/an/an/an/an/an/a



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Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-aspartic acid was linke...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
D-Aspartate Oxidase (DDO)


(Homo sapiens (human))
BDBM31152
PNG
(3-hydroxyquinolin-2(1H)-one, 6)
Show SMILES Oc1cc2c(F)cccc2[nH]c1=O
Show InChI InChI=1S/C9H6FNO2/c10-6-2-1-3-7-5(6)4-8(12)9(13)11-7/h1-4,12H,(H,11,13)
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n/an/a 6.40E+4n/an/an/an/an/an/a



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Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-aspartic acid was linke...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair
D-Aspartate Oxidase (DDO)


(Homo sapiens (human))
BDBM31156
PNG
(3-hydroxyquinolin-2(1H)-one, 10)
Show SMILES Oc1cc2c(Cl)cccc2[nH]c1=O
Show InChI InChI=1S/C9H6ClNO2/c10-6-2-1-3-7-5(6)4-8(12)9(13)11-7/h1-4,12H,(H,11,13)
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n/an/a 2.06E+5n/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-aspartic acid was linke...


J Med Chem 52: 3576-85 (2009)


Article DOI: 10.1021/jm900128w
BindingDB Entry DOI: 10.7270/Q2CZ35HM
More data for this
Ligand-Target Pair