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PubMed code 22281190

Compile data set for download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
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 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


Bioorg Med Chem Lett 22: 1579-81 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.138
BindingDB Entry DOI: 10.7270/Q2891693
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


Bioorg Med Chem Lett 22: 1579-81 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.138
BindingDB Entry DOI: 10.7270/Q2891693
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


Bioorg Med Chem Lett 22: 1579-81 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.138
BindingDB Entry DOI: 10.7270/Q2891693
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


Bioorg Med Chem Lett 22: 1579-81 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.138
BindingDB Entry DOI: 10.7270/Q2891693
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


Bioorg Med Chem Lett 22: 1579-81 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.138
BindingDB Entry DOI: 10.7270/Q2891693
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


Bioorg Med Chem Lett 22: 1579-81 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.138
BindingDB Entry DOI: 10.7270/Q2891693
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


Bioorg Med Chem Lett 22: 1579-81 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.138
BindingDB Entry DOI: 10.7270/Q2891693
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


Bioorg Med Chem Lett 22: 1579-81 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.138
BindingDB Entry DOI: 10.7270/Q2891693
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


Bioorg Med Chem Lett 22: 1579-81 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.138
BindingDB Entry DOI: 10.7270/Q2891693
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


Bioorg Med Chem Lett 22: 1579-81 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.138
BindingDB Entry DOI: 10.7270/Q2891693
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


Bioorg Med Chem Lett 22: 1579-81 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.138
BindingDB Entry DOI: 10.7270/Q2891693
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


Bioorg Med Chem Lett 22: 1579-81 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.138
BindingDB Entry DOI: 10.7270/Q2891693
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%