Compile Data Set for Download or QSAR

Found 398 hits of ic50 data for polymerid = 5837   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273135 ((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 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273091 ((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 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	4.30	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273115 ((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 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.40	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273041 ((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 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273079 ((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 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273157 ((R)-N-benzyl-1-(5-methyl-9-oxo-5,9-dihydroimidazo[...) Show SMILES Cn1ccn2c1nc1sc(nc1c2=O)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273070 ((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 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.40	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273114 ((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 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.60	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273096 ((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 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.60	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273131 ((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 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273030 ((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 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.10	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273139 ((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 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.90	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273076 ((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 |r,wD:15.18,(6,-.08,;4.66,-.85,;4.66,-2.39,;3.33,-3.16,;1.99,-2.39,;.53,-2.87,;-.37,-1.62,;.53,-.37,;1.99,-.85,;3.33,-.08,;3.33,1.46,;-1.91,-1.62,;-2.82,-2.87,;-4.28,-2.39,;-4.28,-.85,;-2.82,-.37,;-2.42,1.11,;-.93,1.51,;-3.51,2.2,;-5,1.8,;-6.09,2.89,;-5.69,4.38,;-6.78,5.47,;-8.26,5.07,;-8.66,3.58,;-7.57,2.49,;6,-3.16,;6,-4.7,;4.66,-5.47,;7.33,-5.47,;8.66,-4.7,;8.66,-3.16,;7.33,-2.39,;8.1,-1.06,)| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273132 ((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 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.10	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273077 ((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 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.30	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273159 ((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 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.60	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273116 ((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 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.90	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273123 ((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 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273158 ((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 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.20	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273028 ((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 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.60	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273118 ((R)-N-benzyl-1-[5-(2-fluorophenyl)-6-methyl-7-oxo-...) Show SMILES Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)-c1ccccc1F |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.70	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273095 ((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 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.80	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM107727 (US8933095, 11) Show SMILES COc1cccc(Cn2cc3C[C@H](N)C(=O)N(O)c3n2)c1 |r| Show InChI InChI=1S/C14H16N4O3/c1-21-11-4-2-3-9(5-11)7-17-8-10-6-12(15)14(19)18(20)13(10)16-17/h2-5,8,12,20H,6-7,15H2,1H3/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.93	n/a	n/a	n/a	n/a	n/a	37
Pfizer Inc. US Patent					Assay Description Formation of kynurenic acid (KYNA) is indirectly assessed by a decrease in light absorbance at 370 nm (OD370) as the L-kynurenine (KYN) substrate is ...				US Patent US8933095 (2015) BindingDB Entry DOI: 10.7270/Q2J9653C
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM107727 (US8933095, 11) Show SMILES COc1cccc(Cn2cc3C[C@H](N)C(=O)N(O)c3n2)c1 |r| Show InChI InChI=1S/C14H16N4O3/c1-21-11-4-2-3-9(5-11)7-17-8-10-6-12(15)14(19)18(20)13(10)16-17/h2-5,8,12,20H,6-7,15H2,1H3/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.93	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Formation of kynurenic acid (KYNA) is indirectly assessed by a decrease in light absorbance at 370 nm (OD370) as the L-kynurenine (KYN) substrate is ...				US Patent US8598200 (2013) BindingDB Entry DOI: 10.7270/Q2G73CBJ
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273151 ((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 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273129 ((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 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.70	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273150 (5-ethyl-6-methyl-2-[(R)-2-(2-phenylaminoacetyl)pyr...) Show SMILES CCc1nc2sc(nc2c(=O)n1C)N1CCC[C@@H]1C(=O)CNc1ccccc1 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273145 ((R)-N-benzyl-1-[5-methoxymethyl-7-oxo-6-(tetrahydr...) Show SMILES COCc1nc2sc(nc2c(=O)n1C1CCOCC1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273117 ((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 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273070 ((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 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273085 ((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 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273089 ((R)-N-benzyl-1-{5-difluoromethyl-7-oxo-6-[(tetrahy...) Show SMILES FC(F)c1nc2sc(nc2c(=O)n1CC1CCOCC1)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM107721 (US8933095, 3) Show SMILES Cn1nc2N(O)C(=O)[C@@H](N)Cc2c1Cc1ccccc1 |r| Show InChI InChI=1S/C14H16N4O2/c1-17-12(7-9-5-3-2-4-6-9)10-8-11(15)14(19)18(20)13(10)16-17/h2-6,11,20H,7-8,15H2,1H3/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Formation of kynurenic acid (KYNA) is indirectly assessed by a decrease in light absorbance at 370 nm (OD370) as the L-kynurenine (KYN) substrate is ...				US Patent US8598200 (2013) BindingDB Entry DOI: 10.7270/Q2G73CBJ
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM107721 (US8933095, 3) Show SMILES Cn1nc2N(O)C(=O)[C@@H](N)Cc2c1Cc1ccccc1 |r| Show InChI InChI=1S/C14H16N4O2/c1-17-12(7-9-5-3-2-4-6-9)10-8-11(15)14(19)18(20)13(10)16-17/h2-6,11,20H,7-8,15H2,1H3/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11.5	n/a	n/a	n/a	n/a	n/a	37
Pfizer Inc. US Patent					Assay Description Formation of kynurenic acid (KYNA) is indirectly assessed by a decrease in light absorbance at 370 nm (OD370) as the L-kynurenine (KYN) substrate is ...				US Patent US8933095 (2015) BindingDB Entry DOI: 10.7270/Q2J9653C
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM466252 (US10793582, Example 66) Show SMILES O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2ncnc(Oc3ccccc3)c2s1 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q27W6G8D
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273070 ((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 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273152 ((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 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM466253 (US10793582, Example 67) Show SMILES CCNc1nc(nc2nc(sc12)N1CCC[C@@H]1C(=O)NCc1ccccc1)C(F)(F)F |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q27W6G8D
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273032 (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 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM466258 (US10793582, Example 83) Show SMILES O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2nc(COC3CCOCC3)nc(C3CC3)c2s1 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q27W6G8D
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273124 ((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 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273075 ((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 |r,wD:15.18,(5.33,-.08,;4,-.85,;4,-2.39,;2.66,-3.16,;1.33,-2.39,;-.14,-2.87,;-1.04,-1.62,;-.14,-.37,;1.33,-.85,;2.66,-.08,;2.66,1.46,;-2.58,-1.62,;-3.49,-2.87,;-4.95,-2.39,;-4.95,-.85,;-3.49,-.37,;-3.09,1.11,;-1.6,1.51,;-4.18,2.2,;-5.66,1.8,;-6.75,2.89,;-6.36,4.38,;-7.44,5.47,;-8.93,5.07,;-9.33,3.58,;-8.24,2.49,;5.33,-3.16,;5.33,-4.7,;4,-5.47,;6.66,-5.47,;8,-4.7,;9.33,-5.47,;8,-3.16,;6.66,-2.39,;7.43,-1.06,)| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273040 ((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 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273025 ((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 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273127 ((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 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273130 ((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 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273023 ((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 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273168 ((R)-N-benzyl-1-[7-chloro-6-(2-fluoropropan-2-yl)-4...) Show SMILES CC(C)(F)c1[nH]c(=O)c2nc(sc2c1Cl)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273167 ((R)-N-benzyl-1-[7-chloro-6-(2-fluorophenyl)-4-oxo-...) Show SMILES Fc1ccccc1-c1[nH]c(=O)c2nc(sc2c1Cl)N1CCC[C@@H]1C(=O)NCc1ccccc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM273070 ((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 |r| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q23X88P5
					More data for this Ligand-Target Pair

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