Compile Data Set for Download or QSAR
Found 21 Enz. Inhib. hit(s) with all data for entry = 50013642
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University of Kragujevac

Curated by ChEMBL
LigandPNGBDBM50568233(CHEMBL4878984)
Show SMILES COc1cc(ccc1OCC(=O)Nc1ccccc1C(F)(F)F)-c1cc(C(O)=O)c2ccccc2n1
Show InChI InChI=1S/C26H19F3N2O5/c1-35-23-12-15(21-13-17(25(33)34)16-6-2-4-8-19(16)30-21)10-11-22(23)36-14-24(32)31-20-9-5-3-7-18(20)26(27,28)29/h2-13H,14H2,1H3,(H,31,32)(H,33,34)
Affinity DataIC50: 300nMAssay Description:Inhibition of human DHODHMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University of Kragujevac

Curated by ChEMBL
LigandPNGBDBM50568227(CHEMBL4865759)
Show SMILES COc1cc(ccc1OCC(=O)Nc1ccccc1F)-c1cc(C(O)=O)c2ccccc2n1
Show InChI InChI=1S/C25H19FN2O5/c1-32-23-12-15(21-13-17(25(30)31)16-6-2-4-8-19(16)27-21)10-11-22(23)33-14-24(29)28-20-9-5-3-7-18(20)26/h2-13H,14H2,1H3,(H,28,29)(H,30,31)
Affinity DataIC50: 500nMAssay Description:Inhibition of human DHODHMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University of Kragujevac

Curated by ChEMBL
LigandPNGBDBM50568231(CHEMBL4856074)
Show SMILES COc1cc(ccc1OCC(=O)Nc1cccc(Cl)c1)-c1cc(C(O)=O)c2ccccc2n1
Show InChI InChI=1S/C25H19ClN2O5/c1-32-23-11-15(21-13-19(25(30)31)18-7-2-3-8-20(18)28-21)9-10-22(23)33-14-24(29)27-17-6-4-5-16(26)12-17/h2-13H,14H2,1H3,(H,27,29)(H,30,31)
Affinity DataIC50: 500nMAssay Description:Inhibition of human DHODHMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University of Kragujevac

Curated by ChEMBL
LigandPNGBDBM50568232(CHEMBL4854748)
Show SMILES COc1cc(ccc1OCC(=O)Nc1ccc(Cl)cc1)-c1cc(C(O)=O)c2ccccc2n1
Show InChI InChI=1S/C25H19ClN2O5/c1-32-23-12-15(21-13-19(25(30)31)18-4-2-3-5-20(18)28-21)6-11-22(23)33-14-24(29)27-17-9-7-16(26)8-10-17/h2-13H,14H2,1H3,(H,27,29)(H,30,31)
Affinity DataIC50: 500nMAssay Description:Inhibition of human DHODHMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University of Kragujevac

Curated by ChEMBL
LigandPNGBDBM50568234(CHEMBL4860193)
Show SMILES COc1cc(ccc1OCC(=O)Nc1cccc(c1)C(F)(F)F)-c1cc(C(O)=O)c2ccccc2n1
Show InChI InChI=1S/C26H19F3N2O5/c1-35-23-11-15(21-13-19(25(33)34)18-7-2-3-8-20(18)31-21)9-10-22(23)36-14-24(32)30-17-6-4-5-16(12-17)26(27,28)29/h2-13H,14H2,1H3,(H,30,32)(H,33,34)
Affinity DataIC50: 500nMAssay Description:Inhibition of human DHODHMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University of Kragujevac

Curated by ChEMBL
LigandPNGBDBM50568237(CHEMBL4862274)
Show SMILES COc1cc(ccc1OCC(=O)NCc1cccnc1)-c1cc(C(O)=O)c2ccccc2n1
Show InChI InChI=1S/C25H21N3O5/c1-32-23-11-17(21-12-19(25(30)31)18-6-2-3-7-20(18)28-21)8-9-22(23)33-15-24(29)27-14-16-5-4-10-26-13-16/h2-13H,14-15H2,1H3,(H,27,29)(H,30,31)
Affinity DataIC50: 700nMAssay Description:Inhibition of human DHODHMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University of Kragujevac

Curated by ChEMBL
LigandPNGBDBM50054601(5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazole...)
Show SMILES Cc1oncc1C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)
Affinity DataIC50: 800nMAssay Description:Inhibition of human DHODHMore data for this Ligand-Target Pair
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University of Kragujevac

Curated by ChEMBL
LigandPNGBDBM50568238(CHEMBL4847408)
Show SMILES COc1cc(ccc1OCC(=O)NCc1ccco1)-c1cc(C(O)=O)c2ccccc2n1
Show InChI InChI=1S/C24H20N2O6/c1-30-22-11-15(20-12-18(24(28)29)17-6-2-3-7-19(17)26-20)8-9-21(22)32-14-23(27)25-13-16-5-4-10-31-16/h2-12H,13-14H2,1H3,(H,25,27)(H,28,29)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of human DHODHMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University of Kragujevac

Curated by ChEMBL
LigandPNGBDBM50568230(CHEMBL4859051)
Show SMILES COc1cc(ccc1OCC(=O)Nc1ccccc1Cl)-c1cc(C(O)=O)c2ccccc2n1
Show InChI InChI=1S/C25H19ClN2O5/c1-32-23-12-15(21-13-17(25(30)31)16-6-2-4-8-19(16)27-21)10-11-22(23)33-14-24(29)28-20-9-5-3-7-18(20)26/h2-13H,14H2,1H3,(H,28,29)(H,30,31)
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of human DHODHMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University of Kragujevac

Curated by ChEMBL
LigandPNGBDBM50568229(CHEMBL4855570)
Show SMILES COc1cc(ccc1OCC(=O)Nc1ccc(F)cc1)-c1cc(C(O)=O)c2ccccc2n1
Show InChI InChI=1S/C25H19FN2O5/c1-32-23-12-15(21-13-19(25(30)31)18-4-2-3-5-20(18)28-21)6-11-22(23)33-14-24(29)27-17-9-7-16(26)8-10-17/h2-13H,14H2,1H3,(H,27,29)(H,30,31)
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of human DHODHMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University of Kragujevac

Curated by ChEMBL
LigandPNGBDBM50568242(CHEMBL4874960)
Show SMILES COc1cc(ccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2)-c1cc(C(O)=O)c2ccccc2n1
Show InChI InChI=1S/C29H30N2O5/c1-35-26-11-20(24-12-22(28(33)34)21-4-2-3-5-23(21)30-24)6-7-25(26)36-16-27(32)31-29-13-17-8-18(14-29)10-19(9-17)15-29/h2-7,11-12,17-19H,8-10,13-16H2,1H3,(H,31,32)(H,33,34)
Affinity DataIC50: 1.70E+3nMAssay Description:Inhibition of human DHODHMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University of Kragujevac

Curated by ChEMBL
LigandPNGBDBM50568241(CHEMBL4868661)
Show SMILES COc1cc(ccc1OCC(=O)NC1CCCCC1)-c1cc(C(O)=O)c2ccccc2n1
Show InChI InChI=1S/C25H26N2O5/c1-31-23-13-16(21-14-19(25(29)30)18-9-5-6-10-20(18)27-21)11-12-22(23)32-15-24(28)26-17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H,26,28)(H,29,30)
Affinity DataIC50: 1.70E+3nMAssay Description:Inhibition of human DHODHMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University of Kragujevac

Curated by ChEMBL
LigandPNGBDBM50568225(CHEMBL4849910)
Show SMILES COc1cc(ccc1OCC(=O)Nc1cccc(C)c1)-c1cc(C(O)=O)c2ccccc2n1
Show InChI InChI=1S/C26H22N2O5/c1-16-6-5-7-18(12-16)27-25(29)15-33-23-11-10-17(13-24(23)32-2)22-14-20(26(30)31)19-8-3-4-9-21(19)28-22/h3-14H,15H2,1-2H3,(H,27,29)(H,30,31)
Affinity DataIC50: 1.90E+3nMAssay Description:Inhibition of human DHODHMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University of Kragujevac

Curated by ChEMBL
LigandPNGBDBM50568228(CHEMBL4866655)
Show SMILES COc1cc(ccc1OCC(=O)Nc1cccc(F)c1)-c1cc(C(O)=O)c2ccccc2n1
Show InChI InChI=1S/C25H19FN2O5/c1-32-23-11-15(21-13-19(25(30)31)18-7-2-3-8-20(18)28-21)9-10-22(23)33-14-24(29)27-17-6-4-5-16(26)12-17/h2-13H,14H2,1H3,(H,27,29)(H,30,31)
Affinity DataIC50: 2.10E+3nMAssay Description:Inhibition of human DHODHMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University of Kragujevac

Curated by ChEMBL
LigandPNGBDBM50568235(CHEMBL4876717)
Show SMILES COc1cc(ccc1OCC(=O)Nc1ccc(cc1)C(F)(F)F)-c1cc(C(O)=O)c2ccccc2n1
Show InChI InChI=1S/C26H19F3N2O5/c1-35-23-12-15(21-13-19(25(33)34)18-4-2-3-5-20(18)31-21)6-11-22(23)36-14-24(32)30-17-9-7-16(8-10-17)26(27,28)29/h2-13H,14H2,1H3,(H,30,32)(H,33,34)
Affinity DataIC50: 2.40E+3nMAssay Description:Inhibition of human DHODHMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University of Kragujevac

Curated by ChEMBL
LigandPNGBDBM50568240(CHEMBL4852681)
Show SMILES CCCCCCNC(=O)COc1ccc(cc1OC)-c1cc(C(O)=O)c2ccccc2n1
Show InChI InChI=1S/C25H28N2O5/c1-3-4-5-8-13-26-24(28)16-32-22-12-11-17(14-23(22)31-2)21-15-19(25(29)30)18-9-6-7-10-20(18)27-21/h6-7,9-12,14-15H,3-5,8,13,16H2,1-2H3,(H,26,28)(H,29,30)
Affinity DataIC50: 2.70E+3nMAssay Description:Inhibition of human DHODHMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University of Kragujevac

Curated by ChEMBL
LigandPNGBDBM50568239(CHEMBL4873569)
Show SMILES COc1cc(ccc1OCC(=O)NCc1cccs1)-c1cc(C(O)=O)c2ccccc2n1
Show InChI InChI=1S/C24H20N2O5S/c1-30-22-11-15(20-12-18(24(28)29)17-6-2-3-7-19(17)26-20)8-9-21(22)31-14-23(27)25-13-16-5-4-10-32-16/h2-12H,13-14H2,1H3,(H,25,27)(H,28,29)
Affinity DataIC50: 3.10E+3nMAssay Description:Inhibition of human DHODHMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University of Kragujevac

Curated by ChEMBL
LigandPNGBDBM50568236(CHEMBL4879308)
Show SMILES COc1cc(ccc1OCC(=O)NCc1ccccc1)-c1cc(C(O)=O)c2ccccc2n1
Show InChI InChI=1S/C26H22N2O5/c1-32-24-13-18(22-14-20(26(30)31)19-9-5-6-10-21(19)28-22)11-12-23(24)33-16-25(29)27-15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,27,29)(H,30,31)
Affinity DataIC50: 3.70E+3nMAssay Description:Inhibition of human DHODHMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University of Kragujevac

Curated by ChEMBL
LigandPNGBDBM50568226(CHEMBL4851212)
Show SMILES COc1cc(ccc1OCC(=O)Nc1ccc(C)cc1)-c1cc(C(O)=O)c2ccccc2n1
Show InChI InChI=1S/C26H22N2O5/c1-16-7-10-18(11-8-16)27-25(29)15-33-23-12-9-17(13-24(23)32-2)22-14-20(26(30)31)19-5-3-4-6-21(19)28-22/h3-14H,15H2,1-2H3,(H,27,29)(H,30,31)
Affinity DataIC50: 3.80E+3nMAssay Description:Inhibition of human DHODHMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University of Kragujevac

Curated by ChEMBL
LigandPNGBDBM50568223(CHEMBL4871000)
Show SMILES COc1cc(ccc1OCC(=O)Nc1ccccc1)-c1cc(C(O)=O)c2ccccc2n1
Show InChI InChI=1S/C25H20N2O5/c1-31-23-13-16(21-14-19(25(29)30)18-9-5-6-10-20(18)27-21)11-12-22(23)32-15-24(28)26-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,26,28)(H,29,30)
Affinity DataIC50: 3.90E+3nMAssay Description:Inhibition of human DHODHMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
University of Kragujevac

Curated by ChEMBL
LigandPNGBDBM50568224(CHEMBL4877345)
Show SMILES COc1cc(ccc1OCC(=O)Nc1ccccc1C)-c1cc(C(O)=O)c2ccccc2n1
Show InChI InChI=1S/C26H22N2O5/c1-16-7-3-5-9-20(16)28-25(29)15-33-23-12-11-17(13-24(23)32-2)22-14-19(26(30)31)18-8-4-6-10-21(18)27-22/h3-14H,15H2,1-2H3,(H,28,29)(H,30,31)
Affinity DataIC50: 5.90E+3nMAssay Description:Inhibition of human DHODHMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid