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Compile Data Set for Download or QSAR

Found 65 hits with Last Name = 'schuyten' and Initial = 'k'   
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))
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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n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
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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n/an/a 23n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50386294
PNG
(CHEMBL2049095)
Show SMILES N[C@H]1Cc2cc(ccc2N(O)C1=O)C(F)(F)F |r|
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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TBA

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50386308
PNG
(CHEMBL2047861)
Show SMILES N[C@H]1Cc2ccc(Cl)cc2N(O)C1=O |r|
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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TBA

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50386312
PNG
(CHEMBL2049094)
Show SMILES Cc1ccc2N(O)C(=O)[C@@H](N)Cc2c1 |r|
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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TBA

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50386311
PNG
(CHEMBL2049093)
Show SMILES N[C@H]1Cc2cc(Cl)ccc2N(O)C1=O |r|
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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TBA

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50386309
PNG
(CHEMBL2047862)
Show SMILES Cc1ccc2C[C@H](N)C(=O)N(O)c2c1 |r|
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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TBA

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50386303
PNG
(CHEMBL2047856)
Show SMILES N[C@H]1Cc2cccc(F)c2N(O)C1=O |r|
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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TBA

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50386295
PNG
(CHEMBL2049096)
Show SMILES N[C@H]1Cc2c(F)cccc2N(O)C1=O |r|
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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TBA

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase


(Rattus norvegicus)
BDBM50386308
PNG
(CHEMBL2047861)
Show SMILES N[C@H]1Cc2ccc(Cl)cc2N(O)C1=O |r|
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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TBA

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
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 |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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TBA

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50386307
PNG
(CHEMBL2047860)
Show SMILES N[C@H]1Cc2cccc(c2N(O)C1=O)C(F)(F)F |r|
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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TBA

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50386298
PNG
(CHEMBL2049099)
Show SMILES COc1cccc2N(O)C(=O)[C@@H](N)Cc12 |r|
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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TBA

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50386299
PNG
(CHEMBL2047852)
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-/m1/s1
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TBA

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50386305
PNG
(CHEMBL2047858)
Show SMILES N[C@H]1Cc2cccc(Cl)c2N(O)C1=O |r|
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

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
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 |r|
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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TBA

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
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 |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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TBA

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50386297
PNG
(CHEMBL2049098)
Show SMILES Cc1cccc2N(O)C(=O)[C@@H](N)Cc12 |r|
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

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50386296
PNG
(CHEMBL2049097)
Show SMILES N[C@H]1Cc2c(Cl)cccc2N(O)C1=O |r|
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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TBA

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
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 |r|
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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TBA

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
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 |r|
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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TBA

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
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 |r|
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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TBA

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50386304
PNG
(CHEMBL2047857)
Show SMILES COc1cccc2C[C@H](N)C(=O)N(O)c12 |r|
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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n/an/a 572n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
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 |r|
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

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50386306
PNG
(CHEMBL2047859)
Show SMILES Cc1cccc2C[C@H](N)C(=O)N(O)c12 |r|
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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n/an/a 1.05E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
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 |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-/m1/s1
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n/an/a 1.17E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
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 |r|
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

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
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 |r|
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

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50386302
PNG
(CHEMBL2047855)
Show SMILES C[C@@H]1[C@H](N)C(=O)N(O)c2ccccc12 |r|
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 3.28E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
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 |r|
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

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
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 |r|
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

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
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 |r|
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

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
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 |r|
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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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50386293
PNG
(CHEMBL2049100)
Show SMILES N[C@H]1Cc2c(cccc2C(F)(F)F)N(O)C1=O |r|
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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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase


(Rattus norvegicus)
BDBM50386300
PNG
(CHEMBL2047853)
Show SMILES CON1C(=O)[C@@H](N)Cc2ccccc12 |r|
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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TBA

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
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 |r|
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

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
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 |r|
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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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
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 |r|
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

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
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 |r|
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

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50386313
PNG
(CHEMBL2047850)
Show SMILES N[C@H]1Cc2ccccc2NC1=O |r|
Show InChI InChI=1S/C9H10N2O/c10-7-5-6-3-1-2-4-8(6)11-9(7)12/h1-4,7H,5,10H2,(H,11,12)/t7-/m0/s1
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TBA

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM50386300
PNG
(CHEMBL2047853)
Show SMILES CON1C(=O)[C@@H](N)Cc2ccccc12 |r|
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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TBA

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
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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TBA

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
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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TBA

Curated by ChEMBL


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


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
More data for this
Ligand-Target Pair
Kynurenine--oxoglutarate transaminase 3


(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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n/an/a 1.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human KAT3


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
More data for this
Ligand-Target Pair
Kynurenine Aminotransferase 1/Glutamine Transaminase K


(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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n/an/a 2.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human KAT1


ACS Med Chem Lett 3: 187-192 (2012)


Article DOI: 10.1021/ml200204m
BindingDB Entry DOI: 10.7270/Q2MC9135
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2/Kv7.3


(Homo sapiens (Human))
BDBM50120994
PNG
(CHEMBL3621447)
Show SMILES [H][C@]12CN(c3nc(OC)c(NC(=O)CC(C)(C)C)c(OC)n3)[C@]([H])(CO1)C2 |r|
Show InChI InChI=1/C17H26N4O4/c1-17(2,3)7-12(22)18-13-14(23-4)19-16(20-15(13)24-5)21-8-11-6-10(21)9-25-11/h10-11H,6-9H2,1-5H3,(H,18,22)/t10-,11-/s2
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n/an/an/an/a 1.89E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human Kv7.2/7.3 expressed in CHOK1 cells


Bioorg Med Chem Lett 25: 4941-4 (2015)


BindingDB Entry DOI: 10.7270/Q28054FG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2/Kv7.3


(Homo sapiens (Human))
BDBM50120995
PNG
(CHEMBL3621448)
Show SMILES COc1nc(nc(OC)c1NC(=O)CC(C)(C)C)N1CC2(COC2)C1
Show InChI InChI=1S/C17H26N4O4/c1-16(2,3)6-11(22)18-12-13(23-4)19-15(20-14(12)24-5)21-7-17(8-21)9-25-10-17/h6-10H2,1-5H3,(H,18,22)
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n/an/an/an/a 9.19E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human Kv7.2/7.3 expressed in CHOK1 cells


Bioorg Med Chem Lett 25: 4941-4 (2015)


BindingDB Entry DOI: 10.7270/Q28054FG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2/Kv7.3


(Homo sapiens (Human))
BDBM50120996
PNG
(CHEMBL3621449)
Show SMILES COC1CCN(CC1)c1nc(OC)c(NC(=O)CCC2CCCC2)c(OC)n1
Show InChI InChI=1S/C20H32N4O4/c1-26-15-10-12-24(13-11-15)20-22-18(27-2)17(19(23-20)28-3)21-16(25)9-8-14-6-4-5-7-14/h14-15H,4-13H2,1-3H3,(H,21,25)
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n/an/an/an/a 40n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human Kv7.2/7.3 expressed in CHOK1 cells


Bioorg Med Chem Lett 25: 4941-4 (2015)


BindingDB Entry DOI: 10.7270/Q28054FG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2/Kv7.3


(Homo sapiens (Human))
BDBM50120997
PNG
(CHEMBL3621795)
Show SMILES COC1CCN(CC1)c1nc(OC)c(NC(=O)CC2CCCCC2)c(OC)n1
Show InChI InChI=1S/C20H32N4O4/c1-26-15-9-11-24(12-10-15)20-22-18(27-2)17(19(23-20)28-3)21-16(25)13-14-7-5-4-6-8-14/h14-15H,4-13H2,1-3H3,(H,21,25)
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n/an/an/an/a 162n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human Kv7.2/7.3 expressed in CHOK1 cells


Bioorg Med Chem Lett 25: 4941-4 (2015)


BindingDB Entry DOI: 10.7270/Q28054FG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2/Kv7.3


(Homo sapiens (Human))
BDBM50120998
PNG
(CHEMBL3621796)
Show SMILES COC1CCN(CC1)c1nc(OC)c(NC(=O)CCC(C)C)c(OC)n1
Show InChI InChI=1S/C18H30N4O4/c1-12(2)6-7-14(23)19-15-16(25-4)20-18(21-17(15)26-5)22-10-8-13(24-3)9-11-22/h12-13H,6-11H2,1-5H3,(H,19,23)
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n/an/an/an/a 304n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human Kv7.2/7.3 expressed in CHOK1 cells


Bioorg Med Chem Lett 25: 4941-4 (2015)


BindingDB Entry DOI: 10.7270/Q28054FG
More data for this
Ligand-Target Pair
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