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Patent code US10793582

Compile Data Set for Download or QSAR
Found 85 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM466253
PNG
(US10793582, Example 67)
Show SMILES CCNc1nc(nc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C20H21F3N6OS/c1-2-24-15-14-16(27-18(26-15)20(21,22)23)28-19(31-14)29-10-6-9-13(29)17(30)25-11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3,(H,25,30)(H,24,26,27)/t13-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466252
PNG
(US10793582, Example 66)
Show SMILES O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2ncnc(Oc3ccccc3)c2s1
Show InChI InChI=1S/C23H21N5O2S/c29-21(24-14-16-8-3-1-4-9-16)18-12-7-13-28(18)23-27-20-19(31-23)22(26-15-25-20)30-17-10-5-2-6-11-17/h1-6,8-11,15,18H,7,12-14H2,(H,24,29)/t18-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466258
PNG
(US10793582, Example 83)
Show SMILES O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2nc(COC3CCOCC3)nc(C3CC3)c2s1
Show InChI InChI=1S/C26H31N5O3S/c32-25(27-15-17-5-2-1-3-6-17)20-7-4-12-31(20)26-30-24-23(35-26)22(18-8-9-18)28-21(29-24)16-34-19-10-13-33-14-11-19/h1-3,5-6,18-20H,4,7-16H2,(H,27,32)/t20-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466232
PNG
((R)—N-benzyl-1-(7-cyclopropyl[1,3]thiazolo[4,...)
Show SMILES O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2ncnc(C3CC3)c2s1
Show InChI InChI=1S/C20H21N5OS/c26-19(21-11-13-5-2-1-3-6-13)15-7-4-10-25(15)20-24-18-17(27-20)16(14-8-9-14)22-12-23-18/h1-3,5-6,12,14-15H,4,7-11H2,(H,21,26)/t15-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466226
PNG
(US10793582, Example 14)
Show SMILES CN(C)c1nc(nc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C20H21F3N6OS/c1-28(2)16-14-15(25-18(27-16)20(21,22)23)26-19(31-14)29-10-6-9-13(29)17(30)24-11-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3,(H,24,30)/t13-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466306
PNG
((R)—N-benzyl-1-(6-cyclopropyl[1,3]thiazolo[4,...)
Show SMILES O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2ncc(nc2s1)C1CC1
Show InChI InChI=1S/C20H21N5OS/c26-18(22-11-13-5-2-1-3-6-13)16-7-4-10-25(16)20-24-17-19(27-20)23-15(12-21-17)14-8-9-14/h1-3,5-6,12,14,16H,4,7-11H2,(H,22,26)/t16-/m1/s1
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n/an/a 33n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466295
PNG
((R)—N-benzyl-1-[7-ethyl-6-(1-methyl-1H-pyrazo...)
Show SMILES CCc1c(cnc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1)-c1cnn(C)c1
Show InChI InChI=1S/C24H26N6OS/c1-3-18-19(17-13-27-29(2)15-17)14-25-22-21(18)32-24(28-22)30-11-7-10-20(30)23(31)26-12-16-8-5-4-6-9-16/h4-6,8-9,13-15,20H,3,7,10-12H2,1-2H3,(H,26,31)/t20-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466246
PNG
(US10793582, Example 46)
Show SMILES O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2nc(CC3CCOCC3)nc(C3CC3)c2s1
Show InChI InChI=1S/C26H31N5O2S/c32-25(27-16-18-5-2-1-3-6-18)20-7-4-12-31(20)26-30-24-23(34-26)22(19-8-9-19)28-21(29-24)15-17-10-13-33-14-11-17/h1-3,5-6,17,19-20H,4,7-16H2,(H,27,32)/t20-/m1/s1
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n/an/a 35n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466225
PNG
(US10793582, Example 10)
Show SMILES CON(C)c1ncnc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C19H22N6O2S/c1-24(27-2)17-15-16(21-12-22-17)23-19(28-15)25-10-6-9-14(25)18(26)20-11-13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11H2,1-2H3,(H,20,26)/t14-/m1/s1
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n/an/a 35n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466230
PNG
((R)—N-benzyl-1-(7-ethoxy[1,3]thiazolo[4,5-d]p...)
Show SMILES CCOc1ncnc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C19H21N5O2S/c1-2-26-18-15-16(21-12-22-18)23-19(27-15)24-10-6-9-14(24)17(25)20-11-13-7-4-3-5-8-13/h3-5,7-8,12,14H,2,6,9-11H2,1H3,(H,20,25)/t14-/m1/s1
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n/an/a 37n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466261
PNG
((R)—N-benzyl-1-[7-(cyclobutyloxy)[1,3]thiazol...)
Show SMILES O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2ncnc(OC3CCC3)c2s1
Show InChI InChI=1S/C21H23N5O2S/c27-19(22-12-14-6-2-1-3-7-14)16-10-5-11-26(16)21-25-18-17(29-21)20(24-13-23-18)28-15-8-4-9-15/h1-3,6-7,13,15-16H,4-5,8-12H2,(H,22,27)/t16-/m1/s1
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n/an/a 46n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466223
PNG
(US10793582, Example 2)
Show SMILES O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2ncnc(N3CCOCC3)c2s1
Show InChI InChI=1S/C21H24N6O2S/c28-20(22-13-15-5-2-1-3-6-15)16-7-4-8-27(16)21-25-18-17(30-21)19(24-14-23-18)26-9-11-29-12-10-26/h1-3,5-6,14,16H,4,7-13H2,(H,22,28)/t16-/m1/s1
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n/an/a 47n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466229
PNG
(US10793582, Example 18)
Show SMILES CN(C)c1nc(C)nc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C20H24N6OS/c1-13-22-17-16(18(23-13)25(2)3)28-20(24-17)26-11-7-10-15(26)19(27)21-12-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-12H2,1-3H3,(H,21,27)/t15-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466228
PNG
(US10793582, Example 17)
Show SMILES COCCc1nc(N(C)C)c2sc(nc2n1)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C22H28N6O2S/c1-27(2)20-18-19(24-17(25-20)11-13-30-3)26-22(31-18)28-12-7-10-16(28)21(29)23-14-15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-14H2,1-3H3,(H,23,29)/t16-/m1/s1
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n/an/a 64n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466242
PNG
(US10793582, Example 36)
Show SMILES C[C@@H](N(C)c1nc2ncnc(C3CC3)c2s1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C19H21N5OS/c1-12(18(25)20-10-13-6-4-3-5-7-13)24(2)19-23-17-16(26-19)15(14-8-9-14)21-11-22-17/h3-7,11-12,14H,8-10H2,1-2H3,(H,20,25)/t12-/m1/s1
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466237
PNG
(US10793582, Example 31)
Show SMILES CC1(CC1)c1ncnc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C21H23N5OS/c1-21(9-10-21)17-16-18(24-13-23-17)25-20(28-16)26-11-5-8-15(26)19(27)22-12-14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12H2,1H3,(H,22,27)/t15-/m1/s1
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466274
PNG
(US10793582, Example 115)
Show SMILES O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2ncc(cc2s1)C1(CCC1)C#N
Show InChI InChI=1S/C23H23N5OS/c24-15-23(9-5-10-23)17-12-19-20(25-14-17)27-22(30-19)28-11-4-8-18(28)21(29)26-13-16-6-2-1-3-7-16/h1-3,6-7,12,14,18H,4-5,8-11,13H2,(H,26,29)/t18-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466224
PNG
(US10793582, Example 6)
Show SMILES CC1(C)CN(CCO1)c1ncnc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C23H28N6O2S/c1-23(2)14-28(11-12-31-23)20-18-19(25-15-26-20)27-22(32-18)29-10-6-9-17(29)21(30)24-13-16-7-4-3-5-8-16/h3-5,7-8,15,17H,6,9-14H2,1-2H3,(H,24,30)/t17-/m1/s1
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n/an/a 71n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466283
PNG
(US10793582, Example 129)
Show SMILES O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2ncc(cc2s1)C1CCOCC1
Show InChI InChI=1S/C23H26N4O2S/c28-22(25-14-16-5-2-1-3-6-16)19-7-4-10-27(19)23-26-21-20(30-23)13-18(15-24-21)17-8-11-29-12-9-17/h1-3,5-6,13,15,17,19H,4,7-12,14H2,(H,25,28)/t19-/m1/s1
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US Patent
n/an/a 72n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466266
PNG
(US10793582, Example 98)
Show SMILES O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2nc(CN3CCOCC3)nc(C3CC3)c2s1
Show InChI InChI=1S/C25H30N6O2S/c32-24(26-15-17-5-2-1-3-6-17)19-7-4-10-31(19)25-29-23-22(34-25)21(18-8-9-18)27-20(28-23)16-30-11-13-33-14-12-30/h1-3,5-6,18-19H,4,7-16H2,(H,26,32)/t19-/m1/s1
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n/an/a 75n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466247
PNG
(US10793582, Example 49)
Show SMILES O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2nc(nc(C3CC3)c2s1)-c1ccncc1
Show InChI InChI=1S/C25H24N6OS/c32-24(27-15-16-5-2-1-3-6-16)19-7-4-14-31(19)25-30-23-21(33-25)20(17-8-9-17)28-22(29-23)18-10-12-26-13-11-18/h1-3,5-6,10-13,17,19H,4,7-9,14-15H2,(H,27,32)/t19-/m1/s1
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n/an/a 76n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466291
PNG
(US10793582, Example 161)
Show SMILES O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2ncc(C#N)c(C3CC3)c2s1
Show InChI InChI=1S/C22H21N5OS/c23-11-16-13-24-20-19(18(16)15-8-9-15)29-22(26-20)27-10-4-7-17(27)21(28)25-12-14-5-2-1-3-6-14/h1-3,5-6,13,15,17H,4,7-10,12H2,(H,25,28)/t17-/m1/s1
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n/an/a 81n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466227
PNG
(US10793582, Example 15)
Show SMILES COCc1nc(N(C)C)c2sc(nc2n1)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C21H26N6O2S/c1-26(2)19-17-18(23-16(24-19)13-29-3)25-21(30-17)27-11-7-10-15(27)20(28)22-12-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,22,28)/t15-/m1/s1
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n/an/a 82n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466273
PNG
(US10793582, Example 113)
Show SMILES CC(C)(C#N)c1cnc2nc(sc2c1)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C22H23N5OS/c1-22(2,14-23)16-11-18-19(24-13-16)26-21(29-18)27-10-6-9-17(27)20(28)25-12-15-7-4-3-5-8-15/h3-5,7-8,11,13,17H,6,9-10,12H2,1-2H3,(H,25,28)/t17-/m1/s1
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n/an/a 85n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466275
PNG
(US10793582, Example 116)
Show SMILES O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2ncc(cc2s1)C1(CCOCC1)C#N
Show InChI InChI=1S/C24H25N5O2S/c25-16-24(8-11-31-12-9-24)18-13-20-21(26-15-18)28-23(32-20)29-10-4-7-19(29)22(30)27-14-17-5-2-1-3-6-17/h1-3,5-6,13,15,19H,4,7-12,14H2,(H,27,30)/t19-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466287
PNG
(US10793582, Example 148)
Show SMILES C[C@@H](NC(=O)[C@H]1CCCN1c1nc2ncc(cc2s1)-c1noc(C)n1)c1ccccc1
Show InChI InChI=1S/C22H22N6O2S/c1-13(15-7-4-3-5-8-15)24-21(29)17-9-6-10-28(17)22-26-20-18(31-22)11-16(12-23-20)19-25-14(2)30-27-19/h3-5,7-8,11-13,17H,6,9-10H2,1-2H3,(H,24,29)/t13-,17-/m1/s1
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n/an/a 93n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466255
PNG
(US10793582, Example 75)
Show SMILES CCOc1nc(nc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1)C1CCOCC1
Show InChI InChI=1S/C24H29N5O3S/c1-2-32-23-19-21(26-20(27-23)17-10-13-31-14-11-17)28-24(33-19)29-12-6-9-18(29)22(30)25-15-16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3,(H,25,30)/t18-/m1/s1
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n/an/a 95n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466288
PNG
(US10793582, Example 149)
Show SMILES Cc1nc(no1)-c1c(C)cnc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C22H22N6O2S/c1-13-11-23-20-18(17(13)19-25-14(2)30-27-19)31-22(26-20)28-10-6-9-16(28)21(29)24-12-15-7-4-3-5-8-15/h3-5,7-8,11,16H,6,9-10,12H2,1-2H3,(H,24,29)/t16-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466234
PNG
(US10793582, Example 26)
Show SMILES CCCc1ncnc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C20H23N5OS/c1-2-7-15-17-18(23-13-22-15)24-20(27-17)25-11-6-10-16(25)19(26)21-12-14-8-4-3-5-9-14/h3-5,8-9,13,16H,2,6-7,10-12H2,1H3,(H,21,26)/t16-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466263
PNG
(US10793582, Example 90)
Show SMILES O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2ncnc(OC3CCOCC3)c2s1
Show InChI InChI=1S/C22H25N5O3S/c28-20(23-13-15-5-2-1-3-6-15)17-7-4-10-27(17)22-26-19-18(31-22)21(25-14-24-19)30-16-8-11-29-12-9-16/h1-3,5-6,14,16-17H,4,7-13H2,(H,23,28)/t17-/m1/s1
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n/an/a 130n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466301
PNG
(US10793582, Example 187)
Show SMILES CCc1cnc2nc(sc2n1)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C19H21N5OS/c1-2-14-12-20-16-18(22-14)26-19(23-16)24-10-6-9-15(24)17(25)21-11-13-7-4-3-5-8-13/h3-5,7-8,12,15H,2,6,9-11H2,1H3,(H,21,25)/t15-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466231
PNG
(US10793582, Example 20)
Show SMILES COCCOc1ncnc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C20H23N5O3S/c1-27-10-11-28-19-16-17(22-13-23-19)24-20(29-16)25-9-5-8-15(25)18(26)21-12-14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12H2,1H3,(H,21,26)/t15-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466265
PNG
(US10793582, Example 93)
Show SMILES CN([C@H](C1CC1)C(=O)NCc1ccccc1)c1nc2ncnc(C3CC3)c2s1
Show InChI InChI=1S/C21H23N5OS/c1-26(21-25-19-18(28-21)16(14-7-8-14)23-12-24-19)17(15-9-10-15)20(27)22-11-13-5-3-2-4-6-13/h2-6,12,14-15,17H,7-11H2,1H3,(H,22,27)/t17-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466268
PNG
((R)—N-benzyl-1-[7-ethyl-5-(2H-1,2,3-triazol-2...)
Show SMILES CCc1nc(nc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1)-n1nccn1
Show InChI InChI=1S/C21H22N8OS/c1-2-15-17-18(26-20(25-15)29-23-10-11-24-29)27-21(31-17)28-12-6-9-16(28)19(30)22-13-14-7-4-3-5-8-14/h3-5,7-8,10-11,16H,2,6,9,12-13H2,1H3,(H,22,30)/t16-/m1/s1
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n/an/a 150n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466294
PNG
(US10793582, Example 164)
Show SMILES CCOc1c(COC)cnc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C22H26N4O3S/c1-3-29-18-16(14-28-2)13-23-20-19(18)30-22(25-20)26-11-7-10-17(26)21(27)24-12-15-8-5-4-6-9-15/h4-6,8-9,13,17H,3,7,10-12,14H2,1-2H3,(H,24,27)/t17-/m1/s1
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n/an/a 150n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466254
PNG
(US10793582, Example 70)
Show SMILES FC(F)(F)COc1ncnc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C19H18F3N5O2S/c20-19(21,22)10-29-17-14-15(24-11-25-17)26-18(30-14)27-8-4-7-13(27)16(28)23-9-12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10H2,(H,23,28)/t13-/m1/s1
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n/an/a 160n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466276
PNG
(US10793582, Example 117)
Show SMILES COCC1(CC1)c1cnc2nc(sc2c1)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C23H26N4O2S/c1-29-15-23(9-10-23)17-12-19-20(24-14-17)26-22(30-19)27-11-5-8-18(27)21(28)25-13-16-6-3-2-4-7-16/h2-4,6-7,12,14,18H,5,8-11,13,15H2,1H3,(H,25,28)/t18-/m1/s1
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n/an/a 170n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466245
PNG
(US10793582, Example 41)
Show SMILES CCc1nc(nc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1)C1CC1
Show InChI InChI=1S/C22H25N5OS/c1-2-16-18-20(25-19(24-16)15-10-11-15)26-22(29-18)27-12-6-9-17(27)21(28)23-13-14-7-4-3-5-8-14/h3-5,7-8,15,17H,2,6,9-13H2,1H3,(H,23,28)/t17-/m1/s1
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n/an/a 170n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466298
PNG
((R)—N-benzyl-1-{7-cyclopropyl-6-[(dimethylami...)
Show SMILES CN(C)Cc1cnc2nc(sc2c1C1CC1)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H29N5OS/c1-28(2)15-18-14-25-22-21(20(18)17-10-11-17)31-24(27-22)29-12-6-9-19(29)23(30)26-13-16-7-4-3-5-8-16/h3-5,7-8,14,17,19H,6,9-13,15H2,1-2H3,(H,26,30)/t19-/m1/s1
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466280
PNG
(US10793582, Example 126)
Show SMILES OC1(CCC1)c1cnc2nc(sc2c1)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C22H24N4O2S/c27-20(24-13-15-6-2-1-3-7-15)17-8-4-11-26(17)21-25-19-18(29-21)12-16(14-23-19)22(28)9-5-10-22/h1-3,6-7,12,14,17,28H,4-5,8-11,13H2,(H,24,27)/t17-/m1/s1
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466235
PNG
(US10793582, Example 28)
Show SMILES CC(C)c1ncnc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C20H23N5OS/c1-13(2)16-17-18(23-12-22-16)24-20(27-17)25-10-6-9-15(25)19(26)21-11-14-7-4-3-5-8-14/h3-5,7-8,12-13,15H,6,9-11H2,1-2H3,(H,21,26)/t15-/m1/s1
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466284
PNG
(US10793582, Example 134)
Show SMILES Cc1cnc2nc(sc2c1)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C19H20N4OS/c1-13-10-16-17(20-11-13)22-19(25-16)23-9-5-8-15(23)18(24)21-12-14-6-3-2-4-7-14/h2-4,6-7,10-11,15H,5,8-9,12H2,1H3,(H,21,24)/t15-/m1/s1
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466233
PNG
(US10793582, Example 24)
Show SMILES CCc1ncnc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C19H21N5OS/c1-2-14-16-17(22-12-21-14)23-19(26-16)24-10-6-9-15(24)18(25)20-11-13-7-4-3-5-8-13/h3-5,7-8,12,15H,2,6,9-11H2,1H3,(H,20,25)/t15-/m1/s1
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466269
PNG
(US10793582, Example 103)
Show SMILES CCc1nc(nc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1)-n1nc(C)cc1C
Show InChI InChI=1S/C24H27N7OS/c1-4-18-20-21(27-23(26-18)31-16(3)13-15(2)29-31)28-24(33-20)30-12-8-11-19(30)22(32)25-14-17-9-6-5-7-10-17/h5-7,9-10,13,19H,4,8,11-12,14H2,1-3H3,(H,25,32)/t19-/m1/s1
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466272
PNG
(US10793582, Example 111)
Show SMILES CC(C)c1cnc2nc(sc2c1)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C21H24N4OS/c1-14(2)16-11-18-19(22-13-16)24-21(27-18)25-10-6-9-17(25)20(26)23-12-15-7-4-3-5-8-15/h3-5,7-8,11,13-14,17H,6,9-10,12H2,1-2H3,(H,23,26)/t17-/m1/s1
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466305
PNG
(US10793582, Example 191)
Show SMILES CN(C)c1cnc2nc(sc2n1)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C19H22N6OS/c1-24(2)15-12-20-16-18(22-15)27-19(23-16)25-10-6-9-14(25)17(26)21-11-13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11H2,1-2H3,(H,21,26)/t14-/m1/s1
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466303
PNG
(US10793582, Example 189)
Show SMILES O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2ncc(nc2s1)-c1ccccc1
Show InChI InChI=1S/C23H21N5OS/c29-21(25-14-16-8-3-1-4-9-16)19-12-7-13-28(19)23-27-20-22(30-23)26-18(15-24-20)17-10-5-2-6-11-17/h1-6,8-11,15,19H,7,12-14H2,(H,25,29)/t19-/m1/s1
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466249
PNG
(US10793582, Example 56)
Show SMILES COCc1nc(c2sc(nc2n1)N1CCC[C@@H]1C(=O)NCc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C20H20F3N5O2S/c1-30-11-14-25-16(20(21,22)23)15-17(26-14)27-19(31-15)28-9-5-8-13(28)18(29)24-10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,24,29)/t13-/m1/s1
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466267
PNG
((S)—N-benzyl-3-(7-cyclopropyl[1,3]thiazolo[4,...)
Show SMILES O=C(NCc1ccccc1)[C@H]1CSCN1c1nc2ncnc(C3CC3)c2s1
Show InChI InChI=1S/C19H19N5OS2/c25-18(20-8-12-4-2-1-3-5-12)14-9-26-11-24(14)19-23-17-16(27-19)15(13-6-7-13)21-10-22-17/h1-5,10,13-14H,6-9,11H2,(H,20,25)/t14-/m1/s1
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466236
PNG
(US10793582, Example 30)
Show SMILES CC(C)(C)c1ncnc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C21H25N5OS/c1-21(2,3)17-16-18(24-13-23-17)25-20(28-16)26-11-7-10-15(26)19(27)22-12-14-8-5-4-6-9-14/h4-6,8-9,13,15H,7,10-12H2,1-3H3,(H,22,27)/t15-/m1/s1
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466289
PNG
(US10793582, Example 151)
Show SMILES O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2ncc(OC3COC3)cc2s1
Show InChI InChI=1S/C21H22N4O3S/c26-20(23-10-14-5-2-1-3-6-14)17-7-4-8-25(17)21-24-19-18(29-21)9-15(11-22-19)28-16-12-27-13-16/h1-3,5-6,9,11,16-17H,4,7-8,10,12-13H2,(H,23,26)/t17-/m1/s1
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466281
PNG
(US10793582, Example 127 | US10793582, Example 128)
Show SMILES COC1(CCC1)c1cnc2nc(sc2c1)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C23H26N4O2S/c1-29-23(10-6-11-23)17-13-19-20(24-15-17)26-22(30-19)27-12-5-9-18(27)21(28)25-14-16-7-3-2-4-8-16/h2-4,7-8,13,15,18H,5-6,9-12,14H2,1H3,(H,25,28)/t18-/m1/s1
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466241
PNG
(US10793582, Example 35)
Show SMILES O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2ncnc(-c3ccccn3)c2s1
Show InChI InChI=1S/C22H20N6OS/c29-21(24-13-15-7-2-1-3-8-15)17-10-6-12-28(17)22-27-20-19(30-22)18(25-14-26-20)16-9-4-5-11-23-16/h1-5,7-9,11,14,17H,6,10,12-13H2,(H,24,29)/t17-/m1/s1
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466292
PNG
((R)-1-(6-cyclopropyl[1,3]thiazolo[4,5-b]pyridin-2-...)
Show SMILES Fc1ccc(CNC(=O)[C@H]2CCCN2c2nc3ncc(cc3s2)C2CC2)cc1
Show InChI InChI=1S/C21H21FN4OS/c22-16-7-3-13(4-8-16)11-24-20(27)17-2-1-9-26(17)21-25-19-18(28-21)10-15(12-23-19)14-5-6-14/h3-4,7-8,10,12,14,17H,1-2,5-6,9,11H2,(H,24,27)/t17-/m1/s1
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466302
PNG
(US10793582, Example 188)
Show SMILES CCc1cnc2nc(sc2n1)N1CCC[C@@H]1C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C19H20FN5OS/c1-2-14-11-21-16-18(23-14)27-19(24-16)25-9-3-4-15(25)17(26)22-10-12-5-7-13(20)8-6-12/h5-8,11,15H,2-4,9-10H2,1H3,(H,22,26)/t15-/m1/s1
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466286
PNG
(US10793582, Example 141)
Show SMILES COCc1ccnc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C20H22N4O2S/c1-26-13-15-9-10-21-18-17(15)27-20(23-18)24-11-5-8-16(24)19(25)22-12-14-6-3-2-4-7-14/h2-4,6-7,9-10,16H,5,8,11-13H2,1H3,(H,22,25)/t16-/m1/s1
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466244
PNG
(US10793582, Example 39)
Show SMILES C[C@@H](N(Cc1ccccn1)c1nc2ncnc(C3CC3)c2s1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H24N6OS/c1-16(23(31)26-13-17-7-3-2-4-8-17)30(14-19-9-5-6-12-25-19)24-29-22-21(32-24)20(18-10-11-18)27-15-28-22/h2-9,12,15-16,18H,10-11,13-14H2,1H3,(H,26,31)/t16-/m1/s1
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466297
PNG
((R)—N-benzyl-1-[7-cyclopropyl-6-(piperidin-1-...)
Show SMILES Cl.O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2ncc(CN3CCCCC3)c(C3CC3)c2s1
Show InChI InChI=1S/C27H33N5OS.ClH/c33-26(29-16-19-8-3-1-4-9-19)22-10-7-15-32(22)27-30-25-24(34-27)23(20-11-12-20)21(17-28-25)18-31-13-5-2-6-14-31;/h1,3-4,8-9,17,20,22H,2,5-7,10-16,18H2,(H,29,33);1H/t22-;/m1./s1
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n/an/a 360n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466296
PNG
(US10793582, Example 171)
Show SMILES Cc1nc(co1)C(C)(C)c1cnc2nc(sc2c1)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C25H27N5O2S/c1-16-28-21(15-32-16)25(2,3)18-12-20-22(26-14-18)29-24(33-20)30-11-7-10-19(30)23(31)27-13-17-8-5-4-6-9-17/h4-6,8-9,12,14-15,19H,7,10-11,13H2,1-3H3,(H,27,31)/t19-/m1/s1
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n/an/a 390n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466238
PNG
(US10793582, Example 32)
Show SMILES COCCc1ncnc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C20H23N5O2S/c1-27-11-9-15-17-18(23-13-22-15)24-20(28-17)25-10-5-8-16(25)19(26)21-12-14-6-3-2-4-7-14/h2-4,6-7,13,16H,5,8-12H2,1H3,(H,21,26)/t16-/m1/s1
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n/an/a 390n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466259
PNG
(US10793582, Example 84)
Show SMILES Cc1nc(OC2CCOCC2)nc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C23H27N5O3S/c1-15-19-20(26-22(25-15)31-17-9-12-30-13-10-17)27-23(32-19)28-11-5-8-18(28)21(29)24-14-16-6-3-2-4-7-16/h2-4,6-7,17-18H,5,8-14H2,1H3,(H,24,29)/t18-/m1/s1
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n/an/a 390n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466243
PNG
(US10793582, Example 38)
Show SMILES COCCN([C@H](C)C(=O)NCc1ccccc1)c1nc2ncnc(C3CC3)c2s1
Show InChI InChI=1S/C21H25N5O2S/c1-14(20(27)22-12-15-6-4-3-5-7-15)26(10-11-28-2)21-25-19-18(29-21)17(16-8-9-16)23-13-24-19/h3-7,13-14,16H,8-12H2,1-2H3,(H,22,27)/t14-/m1/s1
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n/an/a 410n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466248
PNG
(US10793582, Example 55)
Show SMILES FC(F)c1nc(C2CCOCC2)c2sc(nc2n1)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C23H25F2N5O2S/c24-19(25)21-27-17(15-8-11-32-12-9-15)18-20(28-21)29-23(33-18)30-10-4-7-16(30)22(31)26-13-14-5-2-1-3-6-14/h1-3,5-6,15-16,19H,4,7-13H2,(H,26,31)/t16-/m1/s1
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n/an/a 410n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466260
PNG
(US10793582, Example 88)
Show SMILES CCOc1nc(C)c2sc(nc2n1)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C20H23N5O2S/c1-3-27-19-22-13(2)16-17(23-19)24-20(28-16)25-11-7-10-15(25)18(26)21-12-14-8-5-4-6-9-14/h4-6,8-9,15H,3,7,10-12H2,1-2H3,(H,21,26)/t15-/m1/s1
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n/an/a 420n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466304
PNG
(US10793582, Example 190)
Show SMILES CCOc1cnc2nc(sc2n1)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C19H21N5O2S/c1-2-26-15-12-20-16-18(22-15)27-19(23-16)24-10-6-9-14(24)17(25)21-11-13-7-4-3-5-8-13/h3-5,7-8,12,14H,2,6,9-11H2,1H3,(H,21,25)/t14-/m1/s1
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n/an/a 490n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466285
PNG
((R)—N-benzyl-1-(7-cyano-6-methyl[1,3]thiazolo...)
Show SMILES Cc1cnc2nc(sc2c1C#N)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C20H19N5OS/c1-13-11-22-18-17(15(13)10-21)27-20(24-18)25-9-5-8-16(25)19(26)23-12-14-6-3-2-4-7-14/h2-4,6-7,11,16H,5,8-9,12H2,1H3,(H,23,26)/t16-/m1/s1
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n/an/a 490n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466278
PNG
(US10793582, Example 120)
Show SMILES Cc1cc2sc(nc2nc1C)N1CCC[C@@H]1C(=O)NC1(CC1)c1ccccc1
Show InChI InChI=1S/C22H24N4OS/c1-14-13-18-19(23-15(14)2)24-21(28-18)26-12-6-9-17(26)20(27)25-22(10-11-22)16-7-4-3-5-8-16/h3-5,7-8,13,17H,6,9-12H2,1-2H3,(H,25,27)/t17-/m1/s1
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n/an/a 530n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466257
PNG
(US10793582, Example 78)
Show SMILES Cc1nc(nc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H22FN5OS/c1-15-20-22(28-21(27-15)17-9-11-18(25)12-10-17)29-24(32-20)30-13-5-8-19(30)23(31)26-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,19H,5,8,13-14H2,1H3,(H,26,31)/t19-/m1/s1
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n/an/a 550n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466239
PNG
(US10793582, Example 33)
Show SMILES COCc1ncnc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C19H21N5O2S/c1-26-11-14-16-17(22-12-21-14)23-19(27-16)24-9-5-8-15(24)18(25)20-10-13-6-3-2-4-7-13/h2-4,6-7,12,15H,5,8-11H2,1H3,(H,20,25)/t15-/m1/s1
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n/an/a 600n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466251
PNG
(US10793582, Example 58)
Show SMILES CN(C)Cc1nc(C2CC2)c2sc(nc2n1)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C23H28N6OS/c1-28(2)14-18-25-19(16-10-11-16)20-21(26-18)27-23(31-20)29-12-6-9-17(29)22(30)24-13-15-7-4-3-5-8-15/h3-5,7-8,16-17H,6,9-14H2,1-2H3,(H,24,30)/t17-/m1/s1
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n/an/a 640n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466290
PNG
(US10793582, Example 159)
Show SMILES COCc1cnc2nc(sc2c1)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C20H22N4O2S/c1-26-13-15-10-17-18(21-12-15)23-20(27-17)24-9-5-8-16(24)19(25)22-11-14-6-3-2-4-7-14/h2-4,6-7,10,12,16H,5,8-9,11,13H2,1H3,(H,22,25)/t16-/m1/s1
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n/an/a 640n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466300
PNG
((R)—N-benzyl-1-[6-(5-methyl-1,2,4-oxadiazol-3...)
Show SMILES Cc1nc(no1)-c1cnc2nc(sc2c1)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C21H20N6O2S/c1-13-24-18(26-29-13)15-10-17-19(22-12-15)25-21(30-17)27-9-5-8-16(27)20(28)23-11-14-6-3-2-4-7-14/h2-4,6-7,10,12,16H,5,8-9,11H2,1H3,(H,23,28)/t16-/m1/s1
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n/an/a 640n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466240
PNG
(US10793582, Example 34)
Show SMILES COCc1ncnc2nc(sc12)N1CCC[C@@H]1C(=O)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C20H23N5O2S/c1-13(14-7-4-3-5-8-14)23-19(26)16-9-6-10-25(16)20-24-18-17(28-20)15(11-27-2)21-12-22-18/h3-5,7-8,12-13,16H,6,9-11H2,1-2H3,(H,23,26)/t13-,16-/m1/s1
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n/an/a 640n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466279
PNG
(US10793582, Example 124)
Show SMILES FC(F)(F)c1cnc2nc(sc2c1)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C19H17F3N4OS/c20-19(21,22)13-9-15-16(23-11-13)25-18(28-15)26-8-4-7-14(26)17(27)24-10-12-5-2-1-3-6-12/h1-3,5-6,9,11,14H,4,7-8,10H2,(H,24,27)/t14-/m1/s1
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n/an/a 710n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466281
PNG
(US10793582, Example 127 | US10793582, Example 128)
Show SMILES COC1(CCC1)c1cnc2nc(sc2c1)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C23H26N4O2S/c1-29-23(10-6-11-23)17-13-19-20(24-15-17)26-22(30-19)27-12-5-9-18(27)21(28)25-14-16-7-3-2-4-8-16/h2-4,7-8,13,15,18H,5-6,9-12,14H2,1H3,(H,25,28)/t18-/m1/s1
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n/an/a 770n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466271
PNG
((R)—N-benzyl-1-(5,6-dimethyl-7-oxo-6,7-dihydr...)
Show SMILES Cc1nc2nc(sc2c(=O)n1C)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C19H21N5O2S/c1-12-21-16-15(18(26)23(12)2)27-19(22-16)24-10-6-9-14(24)17(25)20-11-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-11H2,1-2H3,(H,20,25)/t14-/m1/s1
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n/an/a 840n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466299
PNG
(US10793582, Example 178)
Show SMILES Clc1ccccc1CNC(=O)[C@H]1CCCN1c1nc2ncc(cc2s1)C#N
Show InChI InChI=1S/C19H16ClN5OS/c20-14-5-2-1-4-13(14)11-23-18(26)15-6-3-7-25(15)19-24-17-16(27-19)8-12(9-21)10-22-17/h1-2,4-5,8,10,15H,3,6-7,11H2,(H,23,26)/t15-/m1/s1
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n/an/a 900n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466277
PNG
(US10793582, Example 119)
Show SMILES Cc1cc2sc(nc2nc1C)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C20H22N4OS/c1-13-11-17-18(22-14(13)2)23-20(26-17)24-10-6-9-16(24)19(25)21-12-15-7-4-3-5-8-15/h3-5,7-8,11,16H,6,9-10,12H2,1-2H3,(H,21,25)/t16-/m1/s1
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n/an/a 900n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466293
PNG
((R)—N-benzyl-1-[6-fluoro-7-(methoxymethyl)[1,...)
Show SMILES COCc1c(F)cnc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C20H21FN4O2S/c1-27-12-14-15(21)11-22-18-17(14)28-20(24-18)25-9-5-8-16(25)19(26)23-10-13-6-3-2-4-7-13/h2-4,6-7,11,16H,5,8-10,12H2,1H3,(H,23,26)/t16-/m1/s1
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n/an/a 910n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466270
PNG
((R)—N-benzyl-1-[7-cyclopropyl-5-(N,N-dimethyl...)
Show SMILES CN(C)c1nc(C2CC2)c2sc(nc2n1)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C22H26N6OS/c1-27(2)21-24-17(15-10-11-15)18-19(25-21)26-22(30-18)28-12-6-9-16(28)20(29)23-13-14-7-4-3-5-8-14/h3-5,7-8,15-16H,6,9-13H2,1-2H3,(H,23,29)/t16-/m1/s1
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n/an/a 920n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466256
PNG
((R)—N-benzyl-1-[7-(2-cyanopropan-2-yl)[1,3]th...)
Show SMILES CC(C)(C#N)c1ncnc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C21H22N6OS/c1-21(2,12-22)17-16-18(25-13-24-17)26-20(29-16)27-10-6-9-15(27)19(28)23-11-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-11H2,1-2H3,(H,23,28)/t15-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466264
PNG
(US10793582, Example 92)
Show SMILES CN(c1nc2ncnc(C3CC3)c2s1)C(C)(C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C20H23N5OS/c1-20(2,18(26)21-11-13-7-5-4-6-8-13)25(3)19-24-17-16(27-19)15(14-9-10-14)22-12-23-17/h4-8,12,14H,9-11H2,1-3H3,(H,21,26)
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n/an/a 2.10E+3n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466307
PNG
(1-[(R)-2-(6-methyl[1,3]thiazolo[4,5-b]pyridin-2-yl...)
Show SMILES Cc1cnc2nc(sc2c1)[C@H]1CCCN1C(=O)Cc1ccccc1
Show InChI InChI=1S/C19H19N3OS/c1-13-10-16-18(20-12-13)21-19(24-16)15-8-5-9-22(15)17(23)11-14-6-3-2-4-7-14/h2-4,6-7,10,12,15H,5,8-9,11H2,1H3/t15-/m1/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466308
PNG
(US10793582, Example 197 | phenyl (R)-2-(6-methyl[1...)
Show SMILES Cc1cnc2nc(sc2c1)[C@@H]1CCCN1C(=O)Oc1ccccc1
Show InChI InChI=1S/C18H17N3O2S/c1-12-10-15-16(19-11-12)20-17(24-15)14-8-5-9-21(14)18(22)23-13-6-3-2-4-7-13/h2-4,6-7,10-11,14H,5,8-9H2,1H3/t14-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

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


(Homo sapiens (Human))
BDBM466309
PNG
((R)-2-(6-methyl[1,3]thiazolo[4,5-b]pyridin-2-yl)-N...)
Show SMILES Cc1cnc2nc(sc2c1)[C@H]1CCCN1C(=O)NC1(CC1)c1ccccc1
Show InChI InChI=1S/C21H22N4OS/c1-14-12-17-18(22-13-14)23-19(27-17)16-8-5-11-25(16)20(26)24-21(9-10-21)15-6-3-2-4-7-15/h2-4,6-7,12-13,16H,5,8-11H2,1H3,(H,24,26)/t16-/m1/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
To a reaction mixture (45 μL) containing 3.0 μmol/L kynurenine, 10 μmol/L pyridoxal phosphate, 2.0 ng/μL human recombinant KAT-II...


US Patent US10793582 (2020)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%