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Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with Target = 'Kynurenine/alpha-aminoadipate aminotransferase' AND taxid = 10116   
Target
(Institution)
LigandTarget
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


(Rattus norvegicus)
BDBM50386308
PNG
(CHEMBL2047861)
Show SMILES N[C@H]1Cc2ccc(Cl)cc2N(O)C1=O
Show InChI InChI=1S/C9H9ClN2O2/c10-6-2-1-5-3-7(11)9(13)12(14)8(5)4-6/h1-2,4,7,14H,3,11H2/t7-/m0/s1
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n/an/a 118n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat recombinant KAT2 assessed as conversion of L-kynurenine into kynurenic acid after 15 to 20 hrs


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase


(Rattus norvegicus)
BDBM50386310
PNG
(CHEMBL2049092)
Show SMILES COc1ccc2C[C@H](N)C(=O)N(O)c2c1
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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n/an/a 137n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat recombinant KAT2 assessed as conversion of L-kynurenine into kynurenic acid after 15 to 20 hrs


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase


(Rattus norvegicus)
BDBM50386311
PNG
(CHEMBL2049093)
Show SMILES N[C@H]1Cc2cc(Cl)ccc2N(O)C1=O
Show InChI InChI=1S/C9H9ClN2O2/c10-6-1-2-8-5(3-6)4-7(11)9(13)12(8)14/h1-3,7,14H,4,11H2/t7-/m0/s1
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n/an/a 258n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat recombinant KAT2 assessed as conversion of L-kynurenine into kynurenic acid after 15 to 20 hrs


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase


(Rattus norvegicus)
BDBM50386292
PNG
(CHEMBL2047851)
Show SMILES N[C@H]1Cc2ccccc2N(O)C1=O
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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n/an/a 263n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat recombinant KAT2 assessed as conversion of L-kynurenine into kynurenic acid after 15 to 20 hrs


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase


(Rattus norvegicus)
BDBM50386309
PNG
(CHEMBL2047862)
Show SMILES Cc1ccc2C[C@H](N)C(=O)N(O)c2c1
Show InChI InChI=1S/C10H12N2O2/c1-6-2-3-7-5-8(11)10(13)12(14)9(7)4-6/h2-4,8,14H,5,11H2,1H3/t8-/m0/s1
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n/an/a 368n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat recombinant KAT2 assessed as conversion of L-kynurenine into kynurenic acid after 15 to 20 hrs


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase


(Rattus norvegicus)
BDBM50386312
PNG
(CHEMBL2049094)
Show SMILES Cc1ccc2N(O)C(=O)[C@@H](N)Cc2c1
Show InChI InChI=1S/C10H12N2O2/c1-6-2-3-9-7(4-6)5-8(11)10(13)12(9)14/h2-4,8,14H,5,11H2,1H3/t8-/m0/s1
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n/an/a 402n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat recombinant KAT2 assessed as conversion of L-kynurenine into kynurenic acid after 15 to 20 hrs


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase


(Rattus norvegicus)
BDBM50386294
PNG
(CHEMBL2049095)
Show SMILES N[C@H]1Cc2cc(ccc2N(O)C1=O)C(F)(F)F
Show InChI InChI=1S/C10H9F3N2O2/c11-10(12,13)6-1-2-8-5(3-6)4-7(14)9(16)15(8)17/h1-3,7,17H,4,14H2/t7-/m0/s1
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n/an/a 488n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat recombinant KAT2 assessed as conversion of L-kynurenine into kynurenic acid after 15 to 20 hrs


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase


(Rattus norvegicus)
BDBM50386303
PNG
(CHEMBL2047856)
Show SMILES N[C@H]1Cc2cccc(F)c2N(O)C1=O
Show InChI InChI=1S/C9H9FN2O2/c10-6-3-1-2-5-4-7(11)9(13)12(14)8(5)6/h1-3,7,14H,4,11H2/t7-/m0/s1
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n/an/a 631n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat recombinant KAT2 assessed as conversion of L-kynurenine into kynurenic acid after 15 to 20 hrs


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase


(Rattus norvegicus)
BDBM50324539
PNG
((S)-(-)-9-(4-aminopiperazin-1-yl)-8-fluoro-3-methy...)
Show SMILES C[C@H]1COc2c(N3CCN(N)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O
Show InChI InChI=1S/C17H19FN4O4/c1-9-8-26-16-13-10(15(23)11(17(24)25)7-22(9)13)6-12(18)14(16)20-2-4-21(19)5-3-20/h6-7,9H,2-5,8,19H2,1H3,(H,24,25)/t9-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Piemonte Orientale Amedeo Avogadro

Curated by ChEMBL


Assay Description
Inhibition of rat brain KAT2


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase


(Rattus norvegicus)
BDBM50324539
PNG
((S)-(-)-9-(4-aminopiperazin-1-yl)-8-fluoro-3-methy...)
Show SMILES C[C@H]1COc2c(N3CCN(N)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O
Show InChI InChI=1S/C17H19FN4O4/c1-9-8-26-16-13-10(15(23)11(17(24)25)7-22(9)13)6-12(18)14(16)20-2-4-21(19)5-3-20/h6-7,9H,2-5,8,19H2,1H3,(H,24,25)/t9-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Colorado College

Curated by ChEMBL


Assay Description
Inhibition of rat KAT-2


J Med Chem 58: 8762-82 (2015)

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


(Rattus norvegicus)
BDBM50386299
PNG
(CHEMBL2047852)
Show SMILES N[C@@H]1Cc2ccccc2N(O)C1=O
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-/m1/s1
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n/an/a 1.17E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat recombinant KAT2 assessed as conversion of L-kynurenine into kynurenic acid after 15 to 20 hrs


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase


(Rattus norvegicus)
BDBM50386302
PNG
(CHEMBL2047855)
Show SMILES C[C@@H]1[C@H](N)C(=O)N(O)c2ccccc12
Show InChI InChI=1S/C10H12N2O2/c1-6-7-4-2-3-5-8(7)12(14)10(13)9(6)11/h2-6,9,14H,11H2,1H3/t6-,9-/m0/s1
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n/an/a>1.33E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat recombinant KAT2 assessed as conversion of L-kynurenine into kynurenic acid after 15 to 20 hrs


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase


(Rattus norvegicus)
BDBM50386295
PNG
(CHEMBL2049096)
Show SMILES N[C@H]1Cc2c(F)cccc2N(O)C1=O
Show InChI InChI=1S/C9H9FN2O2/c10-6-2-1-3-8-5(6)4-7(11)9(13)12(8)14/h1-3,7,14H,4,11H2/t7-/m0/s1
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n/an/a 2.06E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat recombinant KAT2 assessed as conversion of L-kynurenine into kynurenic acid after 15 to 20 hrs


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase


(Rattus norvegicus)
BDBM50386298
PNG
(CHEMBL2049099)
Show SMILES COc1cccc2N(O)C(=O)[C@@H](N)Cc12
Show InChI InChI=1S/C10H12N2O3/c1-15-9-4-2-3-8-6(9)5-7(11)10(13)12(8)14/h2-4,7,14H,5,11H2,1H3/t7-/m0/s1
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n/an/a>4.92E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat recombinant KAT2 assessed as conversion of L-kynurenine into kynurenic acid after 15 to 20 hrs


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase


(Rattus norvegicus)
BDBM50386307
PNG
(CHEMBL2047860)
Show SMILES N[C@H]1Cc2cccc(c2N(O)C1=O)C(F)(F)F
Show InChI InChI=1S/C10H9F3N2O2/c11-10(12,13)6-3-1-2-5-4-7(14)9(16)15(17)8(5)6/h1-3,7,17H,4,14H2/t7-/m0/s1
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n/an/a>6.81E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat recombinant KAT2 assessed as conversion of L-kynurenine into kynurenic acid after 15 to 20 hrs


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase


(Rattus norvegicus)
BDBM50386296
PNG
(CHEMBL2049097)
Show SMILES N[C@H]1Cc2c(Cl)cccc2N(O)C1=O
Show InChI InChI=1S/C9H9ClN2O2/c10-6-2-1-3-8-5(6)4-7(11)9(13)12(8)14/h1-3,7,14H,4,11H2/t7-/m0/s1
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n/an/a>7.97E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat recombinant KAT2 assessed as conversion of L-kynurenine into kynurenic acid after 15 to 20 hrs


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase


(Rattus norvegicus)
BDBM50386297
PNG
(CHEMBL2049098)
Show SMILES Cc1cccc2N(O)C(=O)[C@@H](N)Cc12
Show InChI InChI=1S/C10H12N2O2/c1-6-3-2-4-9-7(6)5-8(11)10(13)12(9)14/h2-4,8,14H,5,11H2,1H3/t8-/m0/s1
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TBA

Assay Description
Inhibition of rat recombinant KAT2 assessed as conversion of L-kynurenine into kynurenic acid after 15 to 20 hrs


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase


(Rattus norvegicus)
BDBM50386293
PNG
(CHEMBL2049100)
Show SMILES N[C@H]1Cc2c(cccc2C(F)(F)F)N(O)C1=O
Show InChI InChI=1S/C10H9F3N2O2/c11-10(12,13)6-2-1-3-8-5(6)4-7(14)9(16)15(8)17/h1-3,7,17H,4,14H2/t7-/m0/s1
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TBA

Assay Description
Inhibition of rat recombinant KAT2 assessed as conversion of L-kynurenine into kynurenic acid after 15 to 20 hrs


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase


(Rattus norvegicus)
BDBM50386306
PNG
(CHEMBL2047859)
Show SMILES Cc1cccc2C[C@H](N)C(=O)N(O)c12
Show InChI InChI=1S/C10H12N2O2/c1-6-3-2-4-7-5-8(11)10(13)12(14)9(6)7/h2-4,8,14H,5,11H2,1H3/t8-/m0/s1
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TBA

Assay Description
Inhibition of rat recombinant KAT2 assessed as conversion of L-kynurenine into kynurenic acid after 15 to 20 hrs


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase


(Rattus norvegicus)
BDBM50386305
PNG
(CHEMBL2047858)
Show SMILES N[C@H]1Cc2cccc(Cl)c2N(O)C1=O
Show InChI InChI=1S/C9H9ClN2O2/c10-6-3-1-2-5-4-7(11)9(13)12(14)8(5)6/h1-3,7,14H,4,11H2/t7-/m0/s1
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TBA

Assay Description
Inhibition of rat recombinant KAT2 assessed as conversion of L-kynurenine into kynurenic acid after 15 to 20 hrs


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase


(Rattus norvegicus)
BDBM50386304
PNG
(CHEMBL2047857)
Show SMILES COc1cccc2C[C@H](N)C(=O)N(O)c12
Show InChI InChI=1S/C10H12N2O3/c1-15-8-4-2-3-6-5-7(11)10(13)12(14)9(6)8/h2-4,7,14H,5,11H2,1H3/t7-/m0/s1
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TBA

Assay Description
Inhibition of rat recombinant KAT2 assessed as conversion of L-kynurenine into kynurenic acid after 15 to 20 hrs


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase


(Rattus norvegicus)
BDBM50386300
PNG
(CHEMBL2047853)
Show SMILES CON1C(=O)[C@@H](N)Cc2ccccc12
Show InChI InChI=1S/C10H12N2O2/c1-14-12-9-5-3-2-4-7(9)6-8(11)10(12)13/h2-5,8H,6,11H2,1H3/t8-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat recombinant KAT2 assessed as conversion of L-kynurenine into kynurenic acid after 15 to 20 hrs


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase


(Rattus norvegicus)
BDBM50386301
PNG
(CHEMBL2047854)
Show SMILES CC1(N)Cc2ccccc2N(O)C1=O
Show InChI InChI=1S/C10H12N2O2/c1-10(11)6-7-4-2-3-5-8(7)12(14)9(10)13/h2-5,14H,6,11H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat recombinant KAT2 assessed as conversion of L-kynurenine into kynurenic acid after 15 to 20 hrs


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase


(Rattus norvegicus)
BDBM50126149
PNG
(CHEMBL3629573)
Show SMILES O=C1NC(=O)\C(S1)=C\c1cccc(c1)-c1ccc2CCN3c2c1CCC3=O
Show InChI InChI=1S/C21H16N2O3S/c24-18-7-6-16-15(5-4-13-8-9-23(18)19(13)16)14-3-1-2-12(10-14)11-17-20(25)22-21(26)27-17/h1-5,10-11H,6-9H2,(H,22,25,26)/b17-11-
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n/an/a 1.34E+4n/an/an/an/an/an/a



Colorado College

Curated by ChEMBL


Assay Description
Inhibition of rat KAT-2


J Med Chem 58: 8762-82 (2015)

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


(Rattus norvegicus)
BDBM50126148
PNG
(CHEMBL3629572)
Show SMILES CCS(=O)(=O)c1ccc(cc1)C(=O)C[C@H](N)C(O)=O
Show InChI InChI=1/C12H15NO5S/c1-2-19(17,18)9-5-3-8(4-6-9)11(14)7-10(13)12(15)16/h3-6,10H,2,7,13H2,1H3,(H,15,16)/t10-/s2
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n/an/a 7.10E+4n/an/an/an/an/an/a



Colorado College

Curated by ChEMBL


Assay Description
Inhibition of rat KAT-2


J Med Chem 58: 8762-82 (2015)

More data for this
Ligand-Target Pair