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Compile Data Set for Download or QSAR

Found 275 hits with Last Name = 'fukunaga' 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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50064157
PNG
(CHEMBL3401132)
Show SMILES Cn1c(nc(cc1=O)-c1ccncc1F)N1CCO[C@@H]2COC[C@@H]12
Show InChI InChI=1S/C16H17FN4O3/c1-20-15(22)6-12(10-2-3-18-7-11(10)17)19-16(20)21-4-5-24-14-9-23-8-13(14)21/h2-3,6-7,13-14H,4-5,8-9H2,1H3/t13-,14-/m1/s1
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n/an/a 3.10n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...


Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50064156
PNG
(CHEMBL3401131)
Show SMILES Cn1c(nc(cc1=O)-c1ccncc1F)N1CCO[C@@H]2CCCC[C@@H]12
Show InChI InChI=1S/C18H21FN4O2/c1-22-17(24)10-14(12-6-7-20-11-13(12)19)21-18(22)23-8-9-25-16-5-3-2-4-15(16)23/h6-7,10-11,15-16H,2-5,8-9H2,1H3/t15-,16-/m1/s1
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n/an/a 3.70n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...


Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273135
PNG
((R)-N-benzyl-1-{5-[difluoro(phenyl)methyl]-7-oxo-6...)
Show SMILES FC(F)(c1ccccc1)c1nc2sc(nc2c(=O)[nH]1)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H21F2N5O2S/c25-24(26,16-10-5-2-6-11-16)22-29-20(33)18-21(30-22)34-23(28-18)31-13-7-12-17(31)19(32)27-14-15-8-3-1-4-9-15/h1-6,8-11,17H,7,12-14H2,(H,27,32)(H,29,30,33)/t17-/m1/s1
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n/an/a 4n/an/an/an/a8.0n/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50064154
PNG
(CHEMBL3401129)
Show SMILES Cn1c(nc(cc1=O)-c1ccncc1F)N1CCO[C@@H]2CCC[C@@H]12
Show InChI InChI=1S/C17H19FN4O2/c1-21-16(23)9-13(11-5-6-19-10-12(11)18)20-17(21)22-7-8-24-15-4-2-3-14(15)22/h5-6,9-10,14-15H,2-4,7-8H2,1H3/t14-,15-/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...


Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273091
PNG
((R)-N-benzyl-1-[6-methyl-7-oxo-5-(tetrahydro-2H-py...)
Show SMILES Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)C1CCOCC1
Show InChI InChI=1S/C23H27N5O3S/c1-27-19(16-9-12-31-13-10-16)26-21-18(22(27)30)25-23(32-21)28-11-5-8-17(28)20(29)24-14-15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-14H2,1H3,(H,24,29)/t17-/m1/s1
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n/an/a 4.30n/an/an/an/a8.0n/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273115
PNG
((R)-N-benzyl-1-[6-methyl-7-oxo-5-(piperidin-1-yl)-...)
Show SMILES Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)N1CCCCC1
Show InChI InChI=1S/C23H28N6O2S/c1-27-21(31)18-20(26-22(27)28-12-6-3-7-13-28)32-23(25-18)29-14-8-11-17(29)19(30)24-15-16-9-4-2-5-10-16/h2,4-5,9-10,17H,3,6-8,11-15H2,1H3,(H,24,30)/t17-/m1/s1
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n/an/a 4.40n/an/an/an/a8.0n/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273041
PNG
((R)-2-[5-(3-methyl-[1,2,4]oxadiazol-5-yl)-7-oxo-6,...)
Show SMILES Cc1noc(n1)-c1nc2sc(nc2c(=O)[nH]1)[C@H]1CCCN1C(=O)Oc1ccccc1
Show InChI InChI=1S/C19H16N6O4S/c1-10-20-16(29-24-10)14-22-15(26)13-18(23-14)30-17(21-13)12-8-5-9-25(12)19(27)28-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-9H2,1H3,(H,22,23,26)/t12-/m1/s1
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n/an/a 4.70n/an/an/an/a8.0n/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273079
PNG
((R)-N-benzyl-1-[6-(2,2-difluoroethyl)-5-(3-methyl-...)
Show SMILES Cc1noc(n1)-c1nc2sc(nc2c(=O)n1CC(F)F)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C22H21F2N7O3S/c1-12-26-19(34-29-12)17-28-20-16(21(33)31(17)11-15(23)24)27-22(35-20)30-9-5-8-14(30)18(32)25-10-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-11H2,1H3,(H,25,32)/t14-/m1/s1
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n/an/a 4.80n/an/an/an/a8.0n/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50064152
PNG
(CHEMBL3401127)
Show SMILES C[C@H]1OCCN([C@@H]1C)c1nc(cc(=O)n1C)-c1ccncc1F
Show InChI InChI=1S/C16H19FN4O2/c1-10-11(2)23-7-6-21(10)16-19-14(8-15(22)20(16)3)12-4-5-18-9-13(12)17/h4-5,8-11H,6-7H2,1-3H3/t10-,11-/m1/s1
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n/an/a 4.90n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...


Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273157
PNG
((R)-N-benzyl-1-(5-methyl-9-oxo-5,9-dihydroimidazo[...)
Show SMILES Cn1ccn2c1nc1sc(nc1c2=O)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C20H20N6O2S/c1-24-10-11-26-18(28)15-17(23-19(24)26)29-20(22-15)25-9-5-8-14(25)16(27)21-12-13-6-3-2-4-7-13/h2-4,6-7,10-11,14H,5,8-9,12H2,1H3,(H,21,27)/t14-/m1/s1
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n/an/a 4.90n/an/an/an/a8.0n/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273070
PNG
((R)-N-benzyl-1-(6-methyl-7-oxo-5-phenyl-6,7-dihydr...)
Show SMILES Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H23N5O2S/c1-28-20(17-11-6-3-7-12-17)27-22-19(23(28)31)26-24(32-22)29-14-8-13-18(29)21(30)25-15-16-9-4-2-5-10-16/h2-7,9-12,18H,8,13-15H2,1H3,(H,25,30)/t18-/m1/s1
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n/an/a 5.40n/an/an/an/a8.0n/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273114
PNG
((R)-N-benzyl-1-[5-(N',N'-dimethylamino)-6-methyl-7...)
Show SMILES CN(C)c1nc2sc(nc2c(=O)n1C)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C20H24N6O2S/c1-24(2)19-23-17-15(18(28)25(19)3)22-20(29-17)26-11-7-10-14(26)16(27)21-12-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3,(H,21,27)/t14-/m1/s1
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n/an/a 5.60n/an/an/an/a8.0n/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273096
PNG
((R)-N-benzyl-1-{5-[difluoro(pyridin-2-yl)methyl]-6...)
Show SMILES Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)C(F)(F)c1ccccn1
Show InChI InChI=1S/C24H22F2N6O2S/c1-31-21(34)18-20(30-22(31)24(25,26)17-11-5-6-12-27-17)35-23(29-18)32-13-7-10-16(32)19(33)28-14-15-8-3-2-4-9-15/h2-6,8-9,11-12,16H,7,10,13-14H2,1H3,(H,28,33)/t16-/m1/s1
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n/an/a 5.60n/an/an/an/a8.0n/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273131
PNG
((R)-N-benzyl-1-[5-(2-fluorophenyl)-7-oxo-6,7-dihyd...)
Show SMILES Fc1ccccc1-c1nc2sc(nc2c(=O)[nH]1)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C23H20FN5O2S/c24-16-10-5-4-9-15(16)19-27-21(31)18-22(28-19)32-23(26-18)29-12-6-11-17(29)20(30)25-13-14-7-2-1-3-8-14/h1-5,7-10,17H,6,11-13H2,(H,25,30)(H,27,28,31)/t17-/m1/s1
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n/an/a 6n/an/an/an/a8.0n/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273030
PNG
((R)-2-[5-(1-cyanocyclopropyl)-7-oxo-6,7-dihydro[1,...)
Show SMILES Cc1cccc(OC(=O)N2CCC[C@@H]2c2nc3c(nc([nH]c3=O)C3(CC3)C#N)s2)c1
Show InChI InChI=1S/C21H19N5O3S/c1-12-4-2-5-13(10-12)29-20(28)26-9-3-6-14(26)17-23-15-16(27)24-19(25-18(15)30-17)21(11-22)7-8-21/h2,4-5,10,14H,3,6-9H2,1H3,(H,24,25,27)/t14-/m1/s1
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n/an/a 6.10n/an/an/an/a8.0n/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273139
PNG
((R)-N-benzyl-1-(7-oxo-5-trifluoromethyl-6,7-dihydr...)
Show SMILES FC(F)(F)c1nc2sc(nc2c(=O)[nH]1)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C18H16F3N5O2S/c19-18(20,21)16-24-14(28)12-15(25-16)29-17(23-12)26-8-4-7-11(26)13(27)22-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,22,27)(H,24,25,28)/t11-/m1/s1
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n/an/a 6.90n/an/an/an/a8.0n/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273076
PNG
((R)-N-benzyl-1-[5-(2,6-difluorophenyl)-6-methyl-7-...)
Show SMILES Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)-c1c(F)cccc1F
Show InChI InChI=1S/C24H21F2N5O2S/c1-30-20(18-15(25)9-5-10-16(18)26)29-22-19(23(30)33)28-24(34-22)31-12-6-11-17(31)21(32)27-13-14-7-3-2-4-8-14/h2-5,7-10,17H,6,11-13H2,1H3,(H,27,32)/t17-/m1/s1
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n/an/a 7n/an/an/an/a8.0n/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50064143
PNG
(CHEMBL3401118)
Show SMILES C[C@@H]1COCCN1c1nc(cc(=O)n1C)-c1ccncc1F
Show InChI InChI=1S/C15H17FN4O2/c1-10-9-22-6-5-20(10)15-18-13(7-14(21)19(15)2)11-3-4-17-8-12(11)16/h3-4,7-8,10H,5-6,9H2,1-2H3/t10-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...


Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273132
PNG
((R)-1-[5-(2,4-difluorophenyl)-7-oxo-6,7-dihydro[1,...)
Show SMILES C[C@@H](NC(=O)[C@H]1CCCN1c1nc2c(nc([nH]c2=O)-c2ccc(F)cc2F)s1)c1ccccc1
Show InChI InChI=1S/C24H21F2N5O2S/c1-13(14-6-3-2-4-7-14)27-21(32)18-8-5-11-31(18)24-28-19-22(33)29-20(30-23(19)34-24)16-10-9-15(25)12-17(16)26/h2-4,6-7,9-10,12-13,18H,5,8,11H2,1H3,(H,27,32)(H,29,30,33)/t13-,18-/m1/s1
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n/an/a 7.10n/an/an/an/a8.0n/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273077
PNG
((R)-N-benzyl-1-[6-methyl-5-(3-methyl-1,2,4-oxadiaz...)
Show SMILES Cc1noc(n1)-c1nc2sc(nc2c(=O)n1C)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C21H21N7O3S/c1-12-23-18(31-26-12)16-25-19-15(20(30)27(16)2)24-21(32-19)28-10-6-9-14(28)17(29)22-11-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-11H2,1-2H3,(H,22,29)/t14-/m1/s1
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n/an/a 7.30n/an/an/an/a8.0n/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273159
PNG
((R)-N-benzyl-1-[5-(2-hydroxypropan-2-yl)-7-oxo-6,7...)
Show SMILES CC(C)(O)c1nc2sc(nc2c(=O)[nH]1)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C20H23N5O3S/c1-20(2,28)18-23-16(27)14-17(24-18)29-19(22-14)25-10-6-9-13(25)15(26)21-11-12-7-4-3-5-8-12/h3-5,7-8,13,28H,6,9-11H2,1-2H3,(H,21,26)(H,23,24,27)/t13-/m1/s1
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n/an/a 7.60n/an/an/an/a8.0n/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273116
PNG
((R)-N-benzyl-1-[6-methyl-5-(morpholin-4-yl)-7-oxo-...)
Show SMILES Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)N1CCOCC1
Show InChI InChI=1S/C22H26N6O3S/c1-26-20(30)17-19(25-21(26)27-10-12-31-13-11-27)32-22(24-17)28-9-5-8-16(28)18(29)23-14-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3,(H,23,29)/t16-/m1/s1
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n/an/a 7.90n/an/an/an/a8.0n/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273123
PNG
((R)-N-benzyl-1-[6-{2-[N'-methyl-N'-(2,2,2-trifluor...)
Show SMILES CN(CCn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)C(F)(F)F)CC(F)(F)F
Show InChI InChI=1S/C23H24F6N6O2S/c1-33(13-22(24,25)26)10-11-35-19(37)16-18(32-20(35)23(27,28)29)38-21(31-16)34-9-5-8-15(34)17(36)30-12-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,30,36)/t15-/m1/s1
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n/an/a 8n/an/an/an/a8.0n/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273158
PNG
((R)-N-benzyl-1-(5,5-difluoro-10-oxo-5,7,8,10-tetra...)
Show SMILES FC1(F)CCCn2c1nc1sc(nc1c2=O)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C21H21F2N5O2S/c22-21(23)9-5-11-28-18(30)15-17(26-19(21)28)31-20(25-15)27-10-4-8-14(27)16(29)24-12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,24,29)/t14-/m1/s1
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n/an/a 8.20n/an/an/an/a8.0n/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273028
PNG
((R)-2-{5-[1-(fluoromethyl)cyclopropyl]-7-oxo-6,7-d...)
Show SMILES FCC1(CC1)c1nc2sc(nc2c(=O)[nH]1)[C@H]1CCCN1C(=O)Oc1ccccc1
Show InChI InChI=1S/C20H19FN4O3S/c21-11-20(8-9-20)18-23-15(26)14-17(24-18)29-16(22-14)13-7-4-10-25(13)19(27)28-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,23,24,26)/t13-/m1/s1
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273118
PNG
((R)-N-benzyl-1-[5-(2-fluorophenyl)-6-methyl-7-oxo-...)
Show SMILES Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)-c1ccccc1F
Show InChI InChI=1S/C24H22FN5O2S/c1-29-20(16-10-5-6-11-17(16)25)28-22-19(23(29)32)27-24(33-22)30-13-7-12-18(30)21(31)26-14-15-8-3-2-4-9-15/h2-6,8-11,18H,7,12-14H2,1H3,(H,26,31)/t18-/m1/s1
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273095
PNG
((R)-N-benzyl-1-[5-(1-fluorocyclopropyl)-6-methyl-7...)
Show SMILES Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)C1(F)CC1
Show InChI InChI=1S/C21H22FN5O2S/c1-26-18(29)15-17(25-19(26)21(22)9-10-21)30-20(24-15)27-11-5-8-14(27)16(28)23-12-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,23,28)/t14-/m1/s1
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n/an/a 8.80n/an/an/an/a8.0n/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273151
PNG
((R)-N-benzyl-1-[5-(2,6-difluorophenyl)-7-oxo-6,7-d...)
Show SMILES Fc1cccc(F)c1-c1nc2sc(nc2c(=O)[nH]1)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C23H19F2N5O2S/c24-14-8-4-9-15(25)17(14)19-28-21(32)18-22(29-19)33-23(27-18)30-11-5-10-16(30)20(31)26-12-13-6-2-1-3-7-13/h1-4,6-9,16H,5,10-12H2,(H,26,31)(H,28,29,32)/t16-/m1/s1
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n/an/a 9n/an/an/an/a8.0n/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50064153
PNG
(CHEMBL3401128)
Show SMILES CC1N(CCOC1(C)C)c1nc(cc(=O)n1C)-c1ccncc1F
Show InChI InChI=1S/C17H21FN4O2/c1-11-17(2,3)24-8-7-22(11)16-20-14(9-15(23)21(16)4)12-5-6-19-10-13(12)18/h5-6,9-11H,7-8H2,1-4H3
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n/an/a 9.70n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...


Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273129
PNG
((R)-N-benzyl-1-[5-(2-fluoropropan-2-yl)-7-oxo-6,7-...)
Show SMILES CC(C)(F)c1nc2sc(nc2c(=O)[nH]1)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C20H22FN5O2S/c1-20(2,21)18-24-16(28)14-17(25-18)29-19(23-14)26-10-6-9-13(26)15(27)22-11-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3,(H,22,27)(H,24,25,28)/t13-/m1/s1
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n/an/a 9.70n/an/an/an/a8.0n/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273150
PNG
(5-ethyl-6-methyl-2-[(R)-2-(2-phenylaminoacetyl)pyr...)
Show SMILES CCc1nc2sc(nc2c(=O)n1C)N1CCC[C@@H]1C(=O)CNc1ccccc1
Show InChI InChI=1S/C20H23N5O2S/c1-3-16-22-18-17(19(27)24(16)2)23-20(28-18)25-11-7-10-14(25)15(26)12-21-13-8-5-4-6-9-13/h4-6,8-9,14,21H,3,7,10-12H2,1-2H3/t14-/m1/s1
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n/an/a 10n/an/an/an/a8.0n/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273145
PNG
((R)-N-benzyl-1-[5-methoxymethyl-7-oxo-6-(tetrahydr...)
Show SMILES COCc1nc2sc(nc2c(=O)n1C1CCOCC1)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H29N5O4S/c1-32-15-19-26-22-20(23(31)29(19)17-9-12-33-13-10-17)27-24(34-22)28-11-5-8-18(28)21(30)25-14-16-6-3-2-4-7-16/h2-4,6-7,17-18H,5,8-15H2,1H3,(H,25,30)/t18-/m1/s1
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n/an/a 10n/an/an/an/a8.0n/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273089
PNG
((R)-N-benzyl-1-{5-difluoromethyl-7-oxo-6-[(tetrahy...)
Show SMILES FC(F)c1nc2sc(nc2c(=O)n1CC1CCOCC1)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H27F2N5O3S/c25-19(26)20-29-22-18(23(33)31(20)14-16-8-11-34-12-9-16)28-24(35-22)30-10-4-7-17(30)21(32)27-13-15-5-2-1-3-6-15/h1-3,5-6,16-17,19H,4,7-14H2,(H,27,32)/t17-/m1/s1
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273085
PNG
((R)-N-benzyl-1-[7-oxo-6-(tetrahydro-2H-pyran-4-yl)...)
Show SMILES FC(F)(F)c1nc2sc(nc2c(=O)n1C1CCOCC1)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C23H24F3N5O3S/c24-23(25,26)21-29-19-17(20(33)31(21)15-8-11-34-12-9-15)28-22(35-19)30-10-4-7-16(30)18(32)27-13-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,27,32)/t16-/m1/s1
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273070
PNG
((R)-N-benzyl-1-(6-methyl-7-oxo-5-phenyl-6,7-dihydr...)
Show SMILES Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H23N5O2S/c1-28-20(17-11-6-3-7-12-17)27-22-19(23(28)31)26-24(32-22)29-14-8-13-18(29)21(30)25-15-16-9-4-2-5-10-16/h2-7,9-12,18H,8,13-15H2,1H3,(H,25,30)/t18-/m1/s1
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273117
PNG
((R)-N-benzyl-1-{6-methyl-7-oxo-5-[(propan-2-yl)ami...)
Show SMILES CC(C)Nc1nc2sc(nc2c(=O)n1C)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C21H26N6O2S/c1-13(2)23-20-25-18-16(19(29)26(20)3)24-21(30-18)27-11-7-10-15(27)17(28)22-12-14-8-5-4-6-9-14/h4-6,8-9,13,15H,7,10-12H2,1-3H3,(H,22,28)(H,23,25)/t15-/m1/s1
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273152
PNG
((R)-N-benzyl-1-[5-(3-methyl-[1,2,4]oxadiazol-5-yl)...)
Show SMILES Cc1noc(n1)-c1nc2sc(nc2c(=O)[nH]1)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C20H19N7O3S/c1-11-22-18(30-26-11)15-24-17(29)14-19(25-15)31-20(23-14)27-9-5-8-13(27)16(28)21-10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-10H2,1H3,(H,21,28)(H,24,25,29)/t13-/m1/s1
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n/an/a 12n/an/an/an/a8.0n/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50064141
PNG
(CHEMBL3401116)
Show SMILES CCCCC1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncc1F
Show InChI InChI=1S/C18H23FN4O2/c1-3-4-5-13-12-23(8-9-25-13)18-21-16(10-17(24)22(18)2)14-6-7-20-11-15(14)19/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...


Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273070
PNG
((R)-N-benzyl-1-(6-methyl-7-oxo-5-phenyl-6,7-dihydr...)
Show SMILES Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H23N5O2S/c1-28-20(17-11-6-3-7-12-17)27-22-19(23(28)31)26-24(32-22)29-14-8-13-18(29)21(30)25-15-16-9-4-2-5-10-16/h2-7,9-12,18H,8,13-15H2,1H3,(H,25,30)/t18-/m1/s1
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n/an/a 12n/an/an/an/a8.0n/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50443871
PNG
(CHEMBL3091536)
Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1ccc(F)cc1
Show InChI InChI=1S/C19H18FN5O2/c1-24-18(26)10-16(15-6-7-21-12-22-15)23-19(24)25-8-9-27-17(11-25)13-2-4-14(20)5-3-13/h2-7,10,12,17H,8-9,11H2,1H3/t17-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...


Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50064142
PNG
(CHEMBL3401117)
Show SMILES Cn1c(nc(cc1=O)-c1ccncc1F)N1CCOC(C1)C1CCC1
Show InChI InChI=1S/C18H21FN4O2/c1-22-17(24)9-15(13-5-6-20-10-14(13)19)21-18(22)23-7-8-25-16(11-23)12-3-2-4-12/h5-6,9-10,12,16H,2-4,7-8,11H2,1H3
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n/an/a 12n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...


Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273032
PNG
(2-[(R)-1-(phenylacetyl)pyrrolidin-2-yl]-5-[1-(trif...)
Show SMILES FC(F)(F)C1(CC1)c1nc2sc(nc2c(=O)[nH]1)[C@H]1CCCN1C(=O)Cc1ccccc1
Show InChI InChI=1S/C21H19F3N4O2S/c22-21(23,24)20(8-9-20)19-26-16(30)15-18(27-19)31-17(25-15)13-7-4-10-28(13)14(29)11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,26,27,30)/t13-/m1/s1
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n/an/a 13n/an/an/an/a8.0n/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273124
PNG
((R)-N-benzyl-1-{5-[(R)-1-(N',N'-dimethylamino)ethy...)
Show SMILES C[C@@H](N(C)C)c1nc2sc(nc2c(=O)n1C)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C22H28N6O2S/c1-14(26(2)3)18-25-20-17(21(30)27(18)4)24-22(31-20)28-12-8-11-16(28)19(29)23-13-15-9-6-5-7-10-15/h5-7,9-10,14,16H,8,11-13H2,1-4H3,(H,23,29)/t14-,16-/m1/s1
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n/an/a 14n/an/an/an/a8.0n/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50064145
PNG
(CHEMBL3401120)
Show SMILES CC(C)[C@@H]1COCCN1c1nc(cc(=O)n1C)-c1ccncc1F
Show InChI InChI=1S/C17H21FN4O2/c1-11(2)15-10-24-7-6-22(15)17-20-14(8-16(23)21(17)3)12-4-5-19-9-13(12)18/h4-5,8-9,11,15H,6-7,10H2,1-3H3/t15-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...


Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273075
PNG
((R)-N-benzyl-1-[6-methyl-7-oxo-5-(2,4,6-trifluorop...)
Show SMILES Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)-c1c(F)cc(F)cc1F
Show InChI InChI=1S/C24H20F3N5O2S/c1-31-20(18-15(26)10-14(25)11-16(18)27)30-22-19(23(31)34)29-24(35-22)32-9-5-8-17(32)21(33)28-12-13-6-3-2-4-7-13/h2-4,6-7,10-11,17H,5,8-9,12H2,1H3,(H,28,33)/t17-/m1/s1
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n/an/a 14n/an/an/an/a8.0n/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273040
PNG
((R)-2-[5-(3-methyloxetan-3-yl)-7-oxo-6,7-dihydro[1...)
Show SMILES CC1(COC1)c1nc2sc(nc2c(=O)[nH]1)[C@H]1CCCN1C(=O)Oc1ccccc1
Show InChI InChI=1S/C20H20N4O4S/c1-20(10-27-11-20)18-22-15(25)14-17(23-18)29-16(21-14)13-8-5-9-24(13)19(26)28-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,22,23,25)/t13-/m1/s1
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n/an/a 14n/an/an/an/a8.0n/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273025
PNG
((R)-2-[5-(2,4-difluorophenyl)-7-oxo-6,7-dihydro[1,...)
Show SMILES Fc1ccc(c(F)c1)-c1nc2sc(nc2c(=O)[nH]1)[C@H]1CCCN1C(=O)Oc1ccccc1
Show InChI InChI=1S/C22H16F2N4O3S/c23-12-8-9-14(15(24)11-12)18-26-19(29)17-21(27-18)32-20(25-17)16-7-4-10-28(16)22(30)31-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,16H,4,7,10H2,(H,26,27,29)/t16-/m1/s1
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n/an/a 14n/an/an/an/a8.0n/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273127
PNG
((R)-1-(5-acetyl-6-methyl-7-oxo-6,7-dihydro[1,3]thi...)
Show SMILES CC(=O)c1nc2sc(nc2c(=O)n1C)N1CCC[C@@H]1C(=O)NCc1ccccc1
Show InChI InChI=1S/C20H21N5O3S/c1-12(26)16-23-18-15(19(28)24(16)2)22-20(29-18)25-10-6-9-14(25)17(27)21-11-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-11H2,1-2H3,(H,21,27)/t14-/m1/s1
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n/an/a 15n/an/an/an/a8.0n/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273130
PNG
((R)-N-benzyl-2-{N'-[5-(propan-2-yl)-7-oxo-6,7-dihy...)
Show SMILES CC(C)c1nc2sc(nc2c(=O)[nH]1)N(C)[C@H](C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C19H23N5O2S/c1-11(2)15-22-17(26)14-18(23-15)27-19(21-14)24(4)12(3)16(25)20-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3,(H,20,25)(H,22,23,26)/t12-/m1/s1
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n/an/a 15n/an/an/an/a8.0n/a



MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial


(Homo sapiens (Human))
BDBM273023
PNG
((R)-2-[7-oxo-5-(propan-2-yl)-6,7-dihydro[1,3]thiaz...)
Show SMILES CC(C)c1nc2sc(nc2c(=O)[nH]1)[C@H]1CCCN1C(=O)Oc1ccccc1
Show InChI InChI=1S/C19H20N4O3S/c1-11(2)15-21-16(24)14-18(22-15)27-17(20-14)13-9-6-10-23(13)19(25)26-12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3,(H,21,22,24)/t13-/m1/s1
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MITSUBISHI TANABE PHARMA CORPORATION

US Patent


Assay Description
The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 μL) cont...


US Patent US10065972 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
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