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Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with Target = 'Kynurenine Aminotransferase 1/Glutamine Transaminase K' AND taxid = 9606   
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 Aminotransferase 1/Glutamine Transaminase K


(Homo sapiens (Human))
BDBM50426341
PNG
(CHEMBL2321944)
Show SMILES N[C@H]1Cc2cc(Oc3ccccc3)ccc2N(O)C1=O
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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n/an/a 2.04E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human KAT1 using L-kynurenine as substrate measured after 16 hrs by SpectraMax plate reader analysis


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine Aminotransferase 1/Glutamine Transaminase K


(Homo sapiens (Human))
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 1.53E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human KAT1 using L-kynurenine as substrate measured after 16 hrs by SpectraMax plate reader analysis


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine Aminotransferase 1/Glutamine Transaminase K


(Homo sapiens (Human))
BDBM50364911
PNG
(CHEMBL1950173)
Show SMILES CCOC(=O)C(CCCC(O)=O)=NNc1ccc(Cl)cc1
Show InChI InChI=1S/C14H17ClN2O4/c1-2-21-14(20)12(4-3-5-13(18)19)17-16-11-8-6-10(15)7-9-11/h6-9,16H,2-5H2,1H3,(H,18,19)
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n/an/a 2.00E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KAT1 after 20 mins by RP-HPLC analysis


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine Aminotransferase 1/Glutamine Transaminase K


(Homo sapiens (Human))
BDBM50364914
PNG
(CHEMBL1950178)
Show SMILES CCOC(=O)C(CCCC(O)=O)=NNc1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClN2O4/c1-2-21-14(20)12(7-4-8-13(18)19)17-16-11-6-3-5-10(15)9-11/h3,5-6,9,16H,2,4,7-8H2,1H3,(H,18,19)
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n/an/a 2.00E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KAT1 after 20 mins by RP-HPLC analysis


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine Aminotransferase 1/Glutamine Transaminase K


(Homo sapiens (Human))
BDBM50364910
PNG
(CHEMBL1950174)
Show SMILES CCOC(=O)C(CCCC(O)=O)=NNc1ccc(Br)cc1
Show InChI InChI=1S/C14H17BrN2O4/c1-2-21-14(20)12(4-3-5-13(18)19)17-16-11-8-6-10(15)7-9-11/h6-9,16H,2-5H2,1H3,(H,18,19)
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n/an/a 2.10E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KAT1 after 20 mins by RP-HPLC analysis


Citation and Details
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
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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Article
n/an/a 2.20E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human KAT1


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine Aminotransferase 1/Glutamine Transaminase K


(Homo sapiens (Human))
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>3.00E+4n/an/an/an/an/an/a



University of Piemonte Orientale Amedeo Avogadro

Curated by ChEMBL


Assay Description
Inhibition of KAT1 in human prefrontal cortex homogenates


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine Aminotransferase 1/Glutamine Transaminase K


(Homo sapiens (Human))
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>3.00E+4n/an/an/an/an/an/a



University of Piemonte Orientale Amedeo Avogadro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MBP-KAT1 expressed in HEK293 cells assessed as conversion of L-kynurenine to kynurenic acid after 1 hr


Citation and Details
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
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 3.04E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human KAT1 using L-kynurenine as substrate measured after 16 hrs by SpectraMax plate reader analysis


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine Aminotransferase 1/Glutamine Transaminase K


(Homo sapiens (Human))
BDBM50364912
PNG
(CHEMBL1950176)
Show SMILES CCOC(=O)C(CCCC(O)=O)=NNc1ccc(C)cc1
Show InChI InChI=1S/C15H20N2O4/c1-3-21-15(20)13(5-4-6-14(18)19)17-16-12-9-7-11(2)8-10-12/h7-10,16H,3-6H2,1-2H3,(H,18,19)
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n/an/a 3.30E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KAT1 after 20 mins by RP-HPLC analysis


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine Aminotransferase 1/Glutamine Transaminase K


(Homo sapiens (Human))
BDBM50364915
PNG
(CHEMBL1950179)
Show SMILES CCOC(=O)C(CCCC(O)=O)=NNc1ccc(I)cc1
Show InChI InChI=1S/C14H17IN2O4/c1-2-21-14(20)12(4-3-5-13(18)19)17-16-11-8-6-10(15)7-9-11/h6-9,16H,2-5H2,1H3,(H,18,19)
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n/an/a 3.40E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KAT1 after 20 mins by RP-HPLC analysis


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine Aminotransferase 1/Glutamine Transaminase K


(Homo sapiens (Human))
BDBM50426340
PNG
(CHEMBL2321943)
Show SMILES COc1cc2N(O)C(=O)[C@@H](N)Cc2cc1Oc1ccccc1
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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n/an/a>3.60E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human KAT1 using L-kynurenine as substrate measured after 16 hrs by SpectraMax plate reader analysis


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine Aminotransferase 1/Glutamine Transaminase K


(Homo sapiens (Human))
BDBM50364913
PNG
(CHEMBL1950177)
Show SMILES CCOC(=O)C(CCCC(O)=O)=NNc1ccc(OC)cc1
Show InChI InChI=1S/C15H20N2O5/c1-3-22-15(20)13(5-4-6-14(18)19)17-16-11-7-9-12(21-2)10-8-11/h7-10,16H,3-6H2,1-2H3,(H,18,19)
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n/an/a 4.30E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KAT1 after 20 mins by RP-HPLC analysis


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine Aminotransferase 1/Glutamine Transaminase K


(Homo sapiens (Human))
BDBM31879
PNG
(3-indolepropionic acid | Acid, 7)
Show SMILES OC(=O)CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)
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PubMed
n/an/a 1.40E+5n/an/an/an/a7.538



Virginia Tech



Assay Description
A typical reaction mixture contains kynurenine, alpha-ketobutyrate, PLP and hKAT-I in the presence of test compound. The reaction mixture was incubat...


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine Aminotransferase 1/Glutamine Transaminase K


(Homo sapiens (Human))
BDBM50364909
PNG
(CHEMBL1950175)
Show SMILES CCOC(=O)C(CCCC(O)=O)=NNc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H17N3O6/c1-2-23-14(20)12(4-3-5-13(18)19)16-15-10-6-8-11(9-7-10)17(21)22/h6-9,15H,2-5H2,1H3,(H,18,19)
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n/an/a 1.79E+5n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KAT1 after 20 mins by RP-HPLC analysis


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine Aminotransferase 1/Glutamine Transaminase K


(Homo sapiens (Human))
BDBM31881
PNG
(DL-indole-3-lactic acid)
Show SMILES OC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)
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n/an/a 2.20E+5n/an/an/an/a7.538



Virginia Tech



Assay Description
A typical reaction mixture contains kynurenine, alpha-ketobutyrate, PLP and hKAT-I in the presence of test compound. The reaction mixture was incubat...


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine Aminotransferase 1/Glutamine Transaminase K


(Homo sapiens (Human))
BDBM50364916
PNG
(CHEMBL1950315)
Show SMILES OC(=O)CCc1c([nH]c2ccc(Br)cc12)C(O)=O
Show InChI InChI=1S/C12H10BrNO4/c13-6-1-3-9-8(5-6)7(2-4-10(15)16)11(14-9)12(17)18/h1,3,5,14H,2,4H2,(H,15,16)(H,17,18)
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n/an/a 2.71E+5n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KAT1 after 20 mins by RP-HPLC analysis


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine Aminotransferase 1/Glutamine Transaminase K


(Homo sapiens (Human))
BDBM50004956
PNG
(3-(2-Carboxy-ethyl)-5-chloro-1H-indole-2-carboxyli...)
Show SMILES OC(=O)CCc1c([nH]c2ccc(Cl)cc12)C(O)=O
Show InChI InChI=1S/C12H10ClNO4/c13-6-1-3-9-8(5-6)7(2-4-10(15)16)11(14-9)12(17)18/h1,3,5,14H,2,4H2,(H,15,16)(H,17,18)
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n/an/a 2.93E+5n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KAT1 after 20 mins by RP-HPLC analysis


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine Aminotransferase 1/Glutamine Transaminase K


(Homo sapiens (Human))
BDBM50364917
PNG
(CHEMBL1950316)
Show SMILES OC(=O)CCc1c([nH]c2ccc(cc12)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C12H10N2O6/c15-10(16)4-2-7-8-5-6(14(19)20)1-3-9(8)13-11(7)12(17)18/h1,3,5,13H,2,4H2,(H,15,16)(H,17,18)
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n/an/a 6.66E+5n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KAT1 after 20 mins by RP-HPLC analysis


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine Aminotransferase 1/Glutamine Transaminase K


(Homo sapiens (Human))
BDBM50364918
PNG
(CHEMBL1950317)
Show SMILES Cc1ccc2[nH]c(C(O)=O)c(CCC(O)=O)c2c1
Show InChI InChI=1S/C13H13NO4/c1-7-2-4-10-9(6-7)8(3-5-11(15)16)12(14-10)13(17)18/h2,4,6,14H,3,5H2,1H3,(H,15,16)(H,17,18)
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n/an/a>1.00E+6n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KAT1 after 20 mins by RP-HPLC analysis


Citation and Details
More data for this
Ligand-Target Pair
Kynurenine Aminotransferase 1/Glutamine Transaminase K


(Homo sapiens (Human))
BDBM50364919
PNG
(CHEMBL1508899)
Show SMILES COc1ccc2[nH]c(C(O)=O)c(CCC(O)=O)c2c1
Show InChI InChI=1S/C13H13NO5/c1-19-7-2-4-10-9(6-7)8(3-5-11(15)16)12(14-10)13(17)18/h2,4,6,14H,3,5H2,1H3,(H,15,16)(H,17,18)
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n/an/a>6.00E+6n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KAT1 after 20 mins by RP-HPLC analysis


Citation and Details
More data for this
Ligand-Target Pair