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Compile Data Set for Download or QSAR

Found 302 hits Enz. Inhib. hit(s) with Target = 'Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50432208
PNG
(CHEMBL2347110)
Show SMILES COc1cc2N(O)C(=O)[C@@H](N)Cc2cc1Cc1ccccc1 |r|
Show InChI InChI=1S/C17H18N2O3/c1-22-16-10-15-12(9-14(18)17(20)19(15)21)8-13(16)7-11-5-3-2-4-6-11/h2-6,8,10,14,21H,7,9,18H2,1H3/t14-/m0/s1
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PubMed
1.60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KAT2 using L-kynurenine as substrate after 15 to 20 hrs by UV-visible spectra analysis


Bioorg Med Chem Lett 23: 1961-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.039
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50426340
PNG
(CHEMBL2321943)
Show SMILES COc1cc2N(O)C(=O)[C@@H](N)Cc2cc1Oc1ccccc1 |r|
Show InChI InChI=1S/C16H16N2O4/c1-21-14-9-13-10(7-12(17)16(19)18(13)20)8-15(14)22-11-5-3-2-4-6-11/h2-6,8-9,12,20H,7,17H2,1H3/t12-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Pfizer Worldwide Research and Development , Neuroscience Medicinal Chemistry, Eastern Point Road, Groton, Connecticut 06340, United States.

Curated by ChEMBL


Assay Description
Irreversible inhibition of human KAT2 using L-kynurenine as substrate measured every 5 mins over 16 hrs by SpectraMax plate reader analysis


ACS Med Chem Lett 4: 37-40 (2013)


Article DOI: 10.1021/ml300237v
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM107730
PNG
(CHEMBL2347108 | US8933095, 14)
Show SMILES N[C@H]1Cc2cn(nc2N(O)C1=O)-c1ccccc1 |r|
Show InChI InChI=1S/C12H12N4O2/c13-10-6-8-7-15(9-4-2-1-3-5-9)14-11(8)16(18)12(10)17/h1-5,7,10,18H,6,13H2/t10-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KAT2 using L-kynurenine as substrate after 15 to 20 hrs by UV-visible spectra analysis


Bioorg Med Chem Lett 23: 1961-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.039
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50426341
PNG
(CHEMBL2321944)
Show SMILES N[C@H]1Cc2cc(Oc3ccccc3)ccc2N(O)C1=O |r|
Show InChI InChI=1S/C15H14N2O3/c16-13-9-10-8-12(20-11-4-2-1-3-5-11)6-7-14(10)17(19)15(13)18/h1-8,13,19H,9,16H2/t13-/m0/s1
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7.10n/an/an/an/an/an/an/an/a



Pfizer Worldwide Research and Development , Neuroscience Medicinal Chemistry, Eastern Point Road, Groton, Connecticut 06340, United States.

Curated by ChEMBL


Assay Description
Irreversible inhibition of human KAT2 using L-kynurenine as substrate measured every 5 mins over 16 hrs by SpectraMax plate reader analysis


ACS Med Chem Lett 4: 37-40 (2013)


Article DOI: 10.1021/ml300237v
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50386310
PNG
(CHEMBL2049092)
Show SMILES COc1ccc2C[C@H](N)C(=O)N(O)c2c1 |r|
Show InChI InChI=1S/C10H12N2O3/c1-15-7-3-2-6-4-8(11)10(13)12(14)9(6)5-7/h2-3,5,8,14H,4,11H2,1H3/t8-/m0/s1
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7.70n/an/an/an/an/an/an/an/a



Pfizer Worldwide Research and Development , Neuroscience Medicinal Chemistry, Eastern Point Road, Groton, Connecticut 06340, United States.

Curated by ChEMBL


Assay Description
Irreversible inhibition of human KAT2 using L-kynurenine as substrate measured every 5 mins over 16 hrs by SpectraMax plate reader analysis


ACS Med Chem Lett 4: 37-40 (2013)


Article DOI: 10.1021/ml300237v
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM107747
PNG
(CHEMBL2347115 | US8933095, 4)
Show SMILES N[C@H]1Cc2c(cnn2Cc2ccccc2)N(O)C1=O |r|
Show InChI InChI=1S/C13H14N4O2/c14-10-6-11-12(17(19)13(10)18)7-15-16(11)8-9-4-2-1-3-5-9/h1-5,7,10,19H,6,8,14H2/t10-/m0/s1
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12n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KAT2 using L-kynurenine as substrate after 15 to 20 hrs by UV-visible spectra analysis


Bioorg Med Chem Lett 23: 1961-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.039
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50386292
PNG
(CHEMBL2047851)
Show SMILES N[C@H]1Cc2ccccc2N(O)C1=O |r|
Show InChI InChI=1S/C9H10N2O2/c10-7-5-6-3-1-2-4-8(6)11(13)9(7)12/h1-4,7,13H,5,10H2/t7-/m0/s1
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14n/an/an/an/an/an/an/an/a



Pfizer Worldwide Research and Development , Neuroscience Medicinal Chemistry, Eastern Point Road, Groton, Connecticut 06340, United States.

Curated by ChEMBL


Assay Description
Irreversible inhibition of human KAT2 using L-kynurenine as substrate measured every 5 mins over 16 hrs by SpectraMax plate reader analysis


ACS Med Chem Lett 4: 37-40 (2013)


Article DOI: 10.1021/ml300237v
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50386292
PNG
(CHEMBL2047851)
Show SMILES N[C@H]1Cc2ccccc2N(O)C1=O |r|
Show InChI InChI=1S/C9H10N2O2/c10-7-5-6-3-1-2-4-8(6)11(13)9(7)12/h1-4,7,13H,5,10H2/t7-/m0/s1
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14n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KAT2 using L-kynurenine as substrate after 15 to 20 hrs by UV-visible spectra analysis


Bioorg Med Chem Lett 23: 1961-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.039
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM107738
PNG
(CHEMBL2347113 | US8933095, 22)
Show SMILES COc1cccc(Cc2nn(C)c3N(O)C(=O)[C@@H](N)Cc23)c1 |r|
Show InChI InChI=1S/C15H18N4O3/c1-18-14-11(8-12(16)15(20)19(14)21)13(17-18)7-9-4-3-5-10(6-9)22-2/h3-6,12,21H,7-8,16H2,1-2H3/t12-/m0/s1
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22n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KAT2 using L-kynurenine as substrate after 15 to 20 hrs by UV-visible spectra analysis


Bioorg Med Chem Lett 23: 1961-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.039
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM107746
PNG
(CHEMBL2347107 | US8933095, 1)
Show SMILES N[C@H]1Cc2cn(Cc3ccccc3)nc2N(O)C1=O |r|
Show InChI InChI=1S/C13H14N4O2/c14-11-6-10-8-16(7-9-4-2-1-3-5-9)15-12(10)17(19)13(11)18/h1-5,8,11,19H,6-7,14H2/t11-/m0/s1
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23n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KAT2 using L-kynurenine as substrate after 15 to 20 hrs by UV-visible spectra analysis


Bioorg Med Chem Lett 23: 1961-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.039
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM107720
PNG
(CHEMBL2347112 | US8598200, 2)
Show SMILES Cn1nc(Cc2ccccc2)c2C[C@H](N)C(=O)N(O)c12 |r|
Show InChI InChI=1S/C14H16N4O2/c1-17-13-10(8-11(15)14(19)18(13)20)12(16-17)7-9-5-3-2-4-6-9/h2-6,11,20H,7-8,15H2,1H3/t11-/m0/s1
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32n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KAT2 using L-kynurenine as substrate after 15 to 20 hrs by UV-visible spectra analysis


Bioorg Med Chem Lett 23: 1961-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.039
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50432200
PNG
(CHEMBL2347109 | US8933095, 16)
Show SMILES N[C@H]1Cc2nn(cc2N(O)C1=O)-c1ccccc1 |r|
Show InChI InChI=1S/C12H12N4O2/c13-9-6-10-11(16(18)12(9)17)7-15(14-10)8-4-2-1-3-5-8/h1-5,7,9,18H,6,13H2/t9-/m0/s1
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41n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KAT2 using L-kynurenine as substrate after 15 to 20 hrs by UV-visible spectra analysis


Bioorg Med Chem Lett 23: 1961-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.039
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM107722
PNG
(CHEMBL2347114 | US8933095, 5)
Show SMILES N[C@H]1Cc2c(N(O)C1=O)c(nn2Cc1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C14H13F3N4O2/c15-14(16,17)12-11-10(6-9(18)13(22)21(11)23)20(19-12)7-8-4-2-1-3-5-8/h1-5,9,23H,6-7,18H2/t9-/m0/s1
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48n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KAT2 using L-kynurenine as substrate after 15 to 20 hrs by UV-visible spectra analysis


Bioorg Med Chem Lett 23: 1961-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.039
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273135
PNG
((R)-N-benzyl-1-{5-[difluoro(phenyl)methyl]-7-oxo-6...)
Show SMILES FC(F)(c1ccccc1)c1nc2sc(nc2c(=O)[nH]1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
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n/an/a 4n/an/an/an/a8.0n/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273091
PNG
((R)-N-benzyl-1-[6-methyl-7-oxo-5-(tetrahydro-2H-py...)
Show SMILES Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)C1CCOCC1 |r|
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n/an/a 4.30n/an/an/an/a8.0n/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273115
PNG
((R)-N-benzyl-1-[6-methyl-7-oxo-5-(piperidin-1-yl)-...)
Show SMILES Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)N1CCCCC1 |r|
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n/an/a 4.40n/an/an/an/a8.0n/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273041
PNG
((R)-2-[5-(3-methyl-[1,2,4]oxadiazol-5-yl)-7-oxo-6,...)
Show SMILES Cc1noc(n1)-c1nc2sc(nc2c(=O)[nH]1)[C@H]1CCCN1C(=O)Oc1ccccc1 |r|
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n/an/a 4.70n/an/an/an/a8.0n/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273079
PNG
((R)-N-benzyl-1-[6-(2,2-difluoroethyl)-5-(3-methyl-...)
Show SMILES Cc1noc(n1)-c1nc2sc(nc2c(=O)n1CC(F)F)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
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n/an/a 4.80n/an/an/an/a8.0n/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273157
PNG
((R)-N-benzyl-1-(5-methyl-9-oxo-5,9-dihydroimidazo[...)
Show SMILES Cn1ccn2c1nc1sc(nc1c2=O)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
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n/an/a 4.90n/an/an/an/a8.0n/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273070
PNG
((R)-N-benzyl-1-(6-methyl-7-oxo-5-phenyl-6,7-dihydr...)
Show SMILES Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)-c1ccccc1 |r|
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n/an/a 5.40n/an/an/an/a8.0n/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273096
PNG
((R)-N-benzyl-1-{5-[difluoro(pyridin-2-yl)methyl]-6...)
Show SMILES Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)C(F)(F)c1ccccn1 |r|
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n/an/a 5.60n/an/an/an/a8.0n/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273114
PNG
((R)-N-benzyl-1-[5-(N',N'-dimethylamino)-6-methyl-7...)
Show SMILES CN(C)c1nc2sc(nc2c(=O)n1C)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
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n/an/a 5.60n/an/an/an/a8.0n/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273131
PNG
((R)-N-benzyl-1-[5-(2-fluorophenyl)-7-oxo-6,7-dihyd...)
Show SMILES Fc1ccccc1-c1nc2sc(nc2c(=O)[nH]1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
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n/an/a 6n/an/an/an/a8.0n/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273030
PNG
((R)-2-[5-(1-cyanocyclopropyl)-7-oxo-6,7-dihydro[1,...)
Show SMILES Cc1cccc(OC(=O)N2CCC[C@@H]2c2nc3c(nc([nH]c3=O)C3(CC3)C#N)s2)c1 |r|
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n/an/a 6.10n/an/an/an/a8.0n/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273139
PNG
((R)-N-benzyl-1-(7-oxo-5-trifluoromethyl-6,7-dihydr...)
Show SMILES FC(F)(F)c1nc2sc(nc2c(=O)[nH]1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
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n/an/a 6.90n/an/an/an/a8.0n/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273076
PNG
((R)-N-benzyl-1-[5-(2,6-difluorophenyl)-6-methyl-7-...)
Show SMILES Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)-c1c(F)cccc1F |r,wD:15.18,(6,-.08,;4.66,-.85,;4.66,-2.39,;3.33,-3.16,;1.99,-2.39,;.53,-2.87,;-.37,-1.62,;.53,-.37,;1.99,-.85,;3.33,-.08,;3.33,1.46,;-1.91,-1.62,;-2.82,-2.87,;-4.28,-2.39,;-4.28,-.85,;-2.82,-.37,;-2.42,1.11,;-.93,1.51,;-3.51,2.2,;-5,1.8,;-6.09,2.89,;-5.69,4.38,;-6.78,5.47,;-8.26,5.07,;-8.66,3.58,;-7.57,2.49,;6,-3.16,;6,-4.7,;4.66,-5.47,;7.33,-5.47,;8.66,-4.7,;8.66,-3.16,;7.33,-2.39,;8.1,-1.06,)|
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n/an/a 7n/an/an/an/a8.0n/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273132
PNG
((R)-1-[5-(2,4-difluorophenyl)-7-oxo-6,7-dihydro[1,...)
Show SMILES C[C@@H](NC(=O)[C@H]1CCCN1c1nc2c(nc([nH]c2=O)-c2ccc(F)cc2F)s1)c1ccccc1 |r|
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n/an/a 7.10n/an/an/an/a8.0n/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273077
PNG
((R)-N-benzyl-1-[6-methyl-5-(3-methyl-1,2,4-oxadiaz...)
Show SMILES Cc1noc(n1)-c1nc2sc(nc2c(=O)n1C)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
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n/an/a 7.30n/an/an/an/a8.0n/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273159
PNG
((R)-N-benzyl-1-[5-(2-hydroxypropan-2-yl)-7-oxo-6,7...)
Show SMILES CC(C)(O)c1nc2sc(nc2c(=O)[nH]1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
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n/an/a 7.60n/an/an/an/a8.0n/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273116
PNG
((R)-N-benzyl-1-[6-methyl-5-(morpholin-4-yl)-7-oxo-...)
Show SMILES Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)N1CCOCC1 |r|
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n/an/a 7.90n/an/an/an/a8.0n/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273123
PNG
((R)-N-benzyl-1-[6-{2-[N'-methyl-N'-(2,2,2-trifluor...)
Show SMILES CN(CCn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)C(F)(F)F)CC(F)(F)F |r|
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n/an/a 8n/an/an/an/a8.0n/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273158
PNG
((R)-N-benzyl-1-(5,5-difluoro-10-oxo-5,7,8,10-tetra...)
Show SMILES FC1(F)CCCn2c1nc1sc(nc1c2=O)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
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Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273028
PNG
((R)-2-{5-[1-(fluoromethyl)cyclopropyl]-7-oxo-6,7-d...)
Show SMILES FCC1(CC1)c1nc2sc(nc2c(=O)[nH]1)[C@H]1CCCN1C(=O)Oc1ccccc1 |r|
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Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273118
PNG
((R)-N-benzyl-1-[5-(2-fluorophenyl)-6-methyl-7-oxo-...)
Show SMILES Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)-c1ccccc1F |r|
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n/an/a 8.70n/an/an/an/a8.0n/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273095
PNG
((R)-N-benzyl-1-[5-(1-fluorocyclopropyl)-6-methyl-7...)
Show SMILES Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)C1(F)CC1 |r|
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Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM107727
PNG
(US8933095, 11)
Show SMILES COc1cccc(Cn2cc3C[C@H](N)C(=O)N(O)c3n2)c1 |r|
Show InChI InChI=1S/C14H16N4O3/c1-21-11-4-2-3-9(5-11)7-17-8-10-6-12(15)14(19)18(20)13(10)16-17/h2-5,8,12,20H,6-7,15H2,1H3/t12-/m0/s1
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US Patent
n/an/a 8.93n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Formation of kynurenic acid (KYNA) is indirectly assessed by a decrease in light absorbance at 370 nm (OD370) as the L-kynurenine (KYN) substrate is ...


US Patent US8598200 (2013)

More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM107727
PNG
(US8933095, 11)
Show SMILES COc1cccc(Cn2cc3C[C@H](N)C(=O)N(O)c3n2)c1 |r|
Show InChI InChI=1S/C14H16N4O3/c1-21-11-4-2-3-9(5-11)7-17-8-10-6-12(15)14(19)18(20)13(10)16-17/h2-5,8,12,20H,6-7,15H2,1H3/t12-/m0/s1
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n/an/a 8.93n/an/an/an/an/a37



Pfizer Inc.

US Patent


Assay Description
Formation of kynurenic acid (KYNA) is indirectly assessed by a decrease in light absorbance at 370 nm (OD370) as the L-kynurenine (KYN) substrate is ...


US Patent US8933095 (2015)

More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273151
PNG
((R)-N-benzyl-1-[5-(2,6-difluorophenyl)-7-oxo-6,7-d...)
Show SMILES Fc1cccc(F)c1-c1nc2sc(nc2c(=O)[nH]1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
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n/an/a 9n/an/an/an/a8.0n/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273129
PNG
((R)-N-benzyl-1-[5-(2-fluoropropan-2-yl)-7-oxo-6,7-...)
Show SMILES CC(C)(F)c1nc2sc(nc2c(=O)[nH]1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
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n/an/a 9.70n/an/an/an/a8.0n/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273150
PNG
(5-ethyl-6-methyl-2-[(R)-2-(2-phenylaminoacetyl)pyr...)
Show SMILES CCc1nc2sc(nc2c(=O)n1C)N1CCC[C@@H]1C(=O)CNc1ccccc1 |r|
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n/an/a 10n/an/an/an/a8.0n/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273145
PNG
((R)-N-benzyl-1-[5-methoxymethyl-7-oxo-6-(tetrahydr...)
Show SMILES COCc1nc2sc(nc2c(=O)n1C1CCOCC1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
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n/an/a 10n/an/an/an/a8.0n/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273089
PNG
((R)-N-benzyl-1-{5-difluoromethyl-7-oxo-6-[(tetrahy...)
Show SMILES FC(F)c1nc2sc(nc2c(=O)n1CC1CCOCC1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
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n/an/a 11n/an/an/an/a8.0n/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273085
PNG
((R)-N-benzyl-1-[7-oxo-6-(tetrahydro-2H-pyran-4-yl)...)
Show SMILES FC(F)(F)c1nc2sc(nc2c(=O)n1C1CCOCC1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
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Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273070
PNG
((R)-N-benzyl-1-(6-methyl-7-oxo-5-phenyl-6,7-dihydr...)
Show SMILES Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)-c1ccccc1 |r|
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Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273117
PNG
((R)-N-benzyl-1-{6-methyl-7-oxo-5-[(propan-2-yl)ami...)
Show SMILES CC(C)Nc1nc2sc(nc2c(=O)n1C)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
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Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM107721
PNG
(US8933095, 3)
Show SMILES Cn1nc2N(O)C(=O)[C@@H](N)Cc2c1Cc1ccccc1 |r|
Show InChI InChI=1S/C14H16N4O2/c1-17-12(7-9-5-3-2-4-6-9)10-8-11(15)14(19)18(20)13(10)16-17/h2-6,11,20H,7-8,15H2,1H3/t11-/m0/s1
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US Patent
n/an/a 11.5n/an/an/an/an/a37



Pfizer Inc.

US Patent


Assay Description
Formation of kynurenic acid (KYNA) is indirectly assessed by a decrease in light absorbance at 370 nm (OD370) as the L-kynurenine (KYN) substrate is ...


US Patent US8933095 (2015)

More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM107721
PNG
(US8933095, 3)
Show SMILES Cn1nc2N(O)C(=O)[C@@H](N)Cc2c1Cc1ccccc1 |r|
Show InChI InChI=1S/C14H16N4O2/c1-17-12(7-9-5-3-2-4-6-9)10-8-11(15)14(19)18(20)13(10)16-17/h2-6,11,20H,7-8,15H2,1H3/t11-/m0/s1
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n/an/a 11.5n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Formation of kynurenic acid (KYNA) is indirectly assessed by a decrease in light absorbance at 370 nm (OD370) as the L-kynurenine (KYN) substrate is ...


US Patent US8598200 (2013)

More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273152
PNG
((R)-N-benzyl-1-[5-(3-methyl-[1,2,4]oxadiazol-5-yl)...)
Show SMILES Cc1noc(n1)-c1nc2sc(nc2c(=O)[nH]1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r|
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n/an/a 12n/an/an/an/a8.0n/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273070
PNG
((R)-N-benzyl-1-(6-methyl-7-oxo-5-phenyl-6,7-dihydr...)
Show SMILES Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)-c1ccccc1 |r|
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n/an/a 12n/an/an/an/a8.0n/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273032
PNG
(2-[(R)-1-(phenylacetyl)pyrrolidin-2-yl]-5-[1-(trif...)
Show SMILES FC(F)(F)C1(CC1)c1nc2sc(nc2c(=O)[nH]1)[C@H]1CCCN1C(=O)Cc1ccccc1 |r|
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n/an/a 13n/an/an/an/a8.0n/a



Parke-Davis Pharmaceutical Research





J Med Chem 41: 3276-92 (1998)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
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