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PubMed code 16143532

Compile data set for download or QSAR
Found 33 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50173155
PNG
(4-(2,3,5,6-Tetrafluoro-3'-trifluoromethoxy-bipheny...)
Show SMILES OC(=O)C1=C(CSC1)C(=O)Nc1c(F)c(F)c(c(F)c1F)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C19H10F7NO4S/c20-12-11(7-2-1-3-8(4-7)31-19(24,25)26)13(21)15(23)16(14(12)22)27-17(28)9-5-32-6-10(9)18(29)30/h1-4H,5-6H2,(H,27,28)(H,29,30)
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n/an/a 4n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of N-terminally truncated recombinant human dihydroorotate dehydrogenase using in vitro enzyme assay


Bioorg Med Chem Lett 15: 4854-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.053
BindingDB Entry DOI: 10.7270/Q2HX1C7N
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM15344
PNG
(2-({2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)phe...)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1c(F)c(F)c(c(F)c1F)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C20H12F7NO4/c21-13-12(8-3-1-4-9(7-8)32-20(25,26)27)14(22)16(24)17(15(13)23)28-18(29)10-5-2-6-11(10)19(30)31/h1,3-4,7H,2,5-6H2,(H,28,29)(H,30,31)
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n/an/a 7n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of N-terminally truncated recombinant human dihydroorotate dehydrogenase using in vitro enzyme assay


Bioorg Med Chem Lett 15: 4854-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.053
BindingDB Entry DOI: 10.7270/Q2HX1C7N
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM14712
PNG
((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...)
Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,10H,1H3,(H,17,19)
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n/an/a 9n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibitory activity against rat dihydroorotate dehydrogenase


Bioorg Med Chem Lett 15: 4854-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.053
BindingDB Entry DOI: 10.7270/Q2HX1C7N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50173145
PNG
(2-[3-Chloro-4-(2-chloro-6-fluoro-benzyloxy)-phenyl...)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1ccc(OCc2c(F)cccc2Cl)c(Cl)c1
Show InChI InChI=1S/C20H16Cl2FNO4/c21-15-5-2-6-17(23)14(15)10-28-18-8-7-11(9-16(18)22)24-19(25)12-3-1-4-13(12)20(26)27/h2,5-9H,1,3-4,10H2,(H,24,25)(H,26,27)
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n/an/a 11n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of N-terminally truncated recombinant human dihydroorotate dehydrogenase using in vitro enzyme assay


Bioorg Med Chem Lett 15: 4854-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.053
BindingDB Entry DOI: 10.7270/Q2HX1C7N
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50173152
PNG
(2-(3,5-Difluoro-3'-methoxy-biphenyl-4-ylcarbamoyl)...)
Show SMILES COc1cccc(c1)-c1cc(F)c(NC(=O)C2=C(CCC2)C(O)=O)c(F)c1
Show InChI InChI=1S/C20H17F2NO4/c1-27-13-5-2-4-11(8-13)12-9-16(21)18(17(22)10-12)23-19(24)14-6-3-7-15(14)20(25)26/h2,4-5,8-10H,3,6-7H2,1H3,(H,23,24)(H,25,26)
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n/an/a 11n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of N-terminally truncated recombinant human dihydroorotate dehydrogenase using in vitro enzyme assay


Bioorg Med Chem Lett 15: 4854-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.053
BindingDB Entry DOI: 10.7270/Q2HX1C7N
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50173151
PNG
(4-(3,5-Difluoro-3'-trifluoromethoxy-biphenyl-4-ylc...)
Show SMILES OC(=O)C1=C(CSC1)C(=O)Nc1c(F)cc(cc1F)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C19H12F5NO4S/c20-14-5-10(9-2-1-3-11(4-9)29-19(22,23)24)6-15(21)16(14)25-17(26)12-7-30-8-13(12)18(27)28/h1-6H,7-8H2,(H,25,26)(H,27,28)
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n/an/a 15n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of N-terminally truncated recombinant human dihydroorotate dehydrogenase using in vitro enzyme assay


Bioorg Med Chem Lett 15: 4854-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.053
BindingDB Entry DOI: 10.7270/Q2HX1C7N
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM15343
PNG
(2-({2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phe...)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1c(F)cc(cc1F)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C20H14F5NO4/c21-15-8-11(10-3-1-4-12(7-10)30-20(23,24)25)9-16(22)17(15)26-18(27)13-5-2-6-14(13)19(28)29/h1,3-4,7-9H,2,5-6H2,(H,26,27)(H,28,29)
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n/an/a 33n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of N-terminally truncated recombinant human dihydroorotate dehydrogenase using in vitro enzyme assay


Bioorg Med Chem Lett 15: 4854-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.053
BindingDB Entry DOI: 10.7270/Q2HX1C7N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50173144
PNG
(4-[3-Chloro-4-(2-chloro-6-fluoro-benzyloxy)-phenyl...)
Show SMILES OC(=O)C1=C(COC1)C(=O)Nc1ccc(OCc2c(F)cccc2Cl)c(Cl)c1
Show InChI InChI=1S/C19H14Cl2FNO5/c20-14-2-1-3-16(22)13(14)9-28-17-5-4-10(6-15(17)21)23-18(24)11-7-27-8-12(11)19(25)26/h1-6H,7-9H2,(H,23,24)(H,25,26)
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n/an/a 41n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of N-terminally truncated recombinant human dihydroorotate dehydrogenase using in vitro enzyme assay


Bioorg Med Chem Lett 15: 4854-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.053
BindingDB Entry DOI: 10.7270/Q2HX1C7N
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50173159
PNG
(4-(2,3,5,6-Tetrafluoro-3'-trifluoromethoxy-bipheny...)
Show SMILES OC(=O)C1=C(COC1)C(=O)Nc1c(F)c(F)c(c(F)c1F)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C19H10F7NO5/c20-12-11(7-2-1-3-8(4-7)32-19(24,25)26)13(21)15(23)16(14(12)22)27-17(28)9-5-31-6-10(9)18(29)30/h1-4H,5-6H2,(H,27,28)(H,29,30)
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n/an/a 58n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of N-terminally truncated recombinant human dihydroorotate dehydrogenase using in vitro enzyme assay


Bioorg Med Chem Lett 15: 4854-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.053
BindingDB Entry DOI: 10.7270/Q2HX1C7N
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM15344
PNG
(2-({2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)phe...)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1c(F)c(F)c(c(F)c1F)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C20H12F7NO4/c21-13-12(8-3-1-4-9(7-8)32-20(25,26)27)14(22)16(24)17(15(13)23)28-18(29)10-5-2-6-11(10)19(30)31/h1,3-4,7H,2,5-6H2,(H,28,29)(H,30,31)
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n/an/a 78n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibitory activity against rat dihydroorotate dehydrogenase


Bioorg Med Chem Lett 15: 4854-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.053
BindingDB Entry DOI: 10.7270/Q2HX1C7N
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50173148
PNG
(4-[3,5-Dibromo-4-(2-chloro-6-fluoro-benzyloxy)-phe...)
Show SMILES OC(=O)C1=C(CSC1)C(=O)Nc1cc(Br)c(OCc2c(F)cccc2Cl)c(Br)c1
Show InChI InChI=1S/C19H13Br2ClFNO4S/c20-13-4-9(24-18(25)11-7-29-8-12(11)19(26)27)5-14(21)17(13)28-6-10-15(22)2-1-3-16(10)23/h1-5H,6-8H2,(H,24,25)(H,26,27)
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n/an/a 105n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of N-terminally truncated recombinant human dihydroorotate dehydrogenase using in vitro enzyme assay


Bioorg Med Chem Lett 15: 4854-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.053
BindingDB Entry DOI: 10.7270/Q2HX1C7N
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50173158
PNG
(2-[3,5-Dibromo-4-(2-chloro-6-fluoro-benzyloxy)-phe...)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1cc(Br)c(OCc2c(F)cccc2Cl)c(Br)c1
Show InChI InChI=1S/C20H15Br2ClFNO4/c21-14-7-10(25-19(26)11-3-1-4-12(11)20(27)28)8-15(22)18(14)29-9-13-16(23)5-2-6-17(13)24/h2,5-8H,1,3-4,9H2,(H,25,26)(H,27,28)
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n/an/a 110n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of N-terminally truncated recombinant human dihydroorotate dehydrogenase using in vitro enzyme assay


Bioorg Med Chem Lett 15: 4854-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.053
BindingDB Entry DOI: 10.7270/Q2HX1C7N
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50173161
PNG
(2-(4-Benzyloxy-3,5-dibromo-phenylcarbamoyl)-cyclop...)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1cc(Br)c(OCc2ccccc2)c(Br)c1
Show InChI InChI=1S/C20H17Br2NO4/c21-16-9-13(23-19(24)14-7-4-8-15(14)20(25)26)10-17(22)18(16)27-11-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11H2,(H,23,24)(H,25,26)
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n/an/a 127n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of N-terminally truncated recombinant human dihydroorotate dehydrogenase using in vitro enzyme assay


Bioorg Med Chem Lett 15: 4854-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.053
BindingDB Entry DOI: 10.7270/Q2HX1C7N
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50173149
PNG
(4-(3-Fluoro-3'-methoxy-biphenyl-4-ylcarbamoyl)-2,5...)
Show SMILES COc1cccc(c1)-c1ccc(NC(=O)C2=C(CSC2)C(O)=O)c(F)c1
Show InChI InChI=1S/C19H16FNO4S/c1-25-13-4-2-3-11(7-13)12-5-6-17(16(20)8-12)21-18(22)14-9-26-10-15(14)19(23)24/h2-8H,9-10H2,1H3,(H,21,22)(H,23,24)
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n/an/a 131n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of N-terminally truncated recombinant human dihydroorotate dehydrogenase using in vitro enzyme assay


Bioorg Med Chem Lett 15: 4854-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.053
BindingDB Entry DOI: 10.7270/Q2HX1C7N
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM16111
PNG
(2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}c...)
Show SMILES COc1cccc(c1)-c1ccc(NC(=O)C2=C(CCC2)C(O)=O)c(F)c1
Show InChI InChI=1S/C20H18FNO4/c1-26-14-5-2-4-12(10-14)13-8-9-18(17(21)11-13)22-19(23)15-6-3-7-16(15)20(24)25/h2,4-5,8-11H,3,6-7H2,1H3,(H,22,23)(H,24,25)
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n/an/a 134n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of N-terminally truncated recombinant human dihydroorotate dehydrogenase using in vitro enzyme assay


Bioorg Med Chem Lett 15: 4854-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.053
BindingDB Entry DOI: 10.7270/Q2HX1C7N
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM14712
PNG
((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...)
Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,10H,1H3,(H,17,19)
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n/an/a 156n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse dihydroorotate dehydrogenase


Bioorg Med Chem Lett 15: 4854-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.053
BindingDB Entry DOI: 10.7270/Q2HX1C7N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50173146
PNG
(4-(4-Benzyloxy-3,5-dibromo-phenylcarbamoyl)-2,5-di...)
Show SMILES OC(=O)C1=C(CSC1)C(=O)Nc1cc(Br)c(OCc2ccccc2)c(Br)c1
Show InChI InChI=1S/C19H15Br2NO4S/c20-15-6-12(22-18(23)13-9-27-10-14(13)19(24)25)7-16(21)17(15)26-8-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,22,23)(H,24,25)
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n/an/a 173n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of N-terminally truncated recombinant human dihydroorotate dehydrogenase using in vitro enzyme assay


Bioorg Med Chem Lett 15: 4854-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.053
BindingDB Entry DOI: 10.7270/Q2HX1C7N
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50173160
PNG
(4-(3,5-Difluoro-3'-trifluoromethoxy-biphenyl-4-ylc...)
Show SMILES OC(=O)C1=C(COC1)C(=O)Nc1c(F)cc(cc1F)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C19H12F5NO5/c20-14-5-10(9-2-1-3-11(4-9)30-19(22,23)24)6-15(21)16(14)25-17(26)12-7-29-8-13(12)18(27)28/h1-6H,7-8H2,(H,25,26)(H,27,28)
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n/an/a 205n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of N-terminally truncated recombinant human dihydroorotate dehydrogenase using in vitro enzyme assay


Bioorg Med Chem Lett 15: 4854-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.053
BindingDB Entry DOI: 10.7270/Q2HX1C7N
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50173156
PNG
(4-(3-Fluoro-3'-methoxy-biphenyl-4-ylcarbamoyl)-2,5...)
Show SMILES COc1cccc(c1)-c1ccc(NC(=O)C2=C(COC2)C(O)=O)c(F)c1
Show InChI InChI=1S/C19H16FNO5/c1-25-13-4-2-3-11(7-13)12-5-6-17(16(20)8-12)21-18(22)14-9-26-10-15(14)19(23)24/h2-8H,9-10H2,1H3,(H,21,22)(H,23,24)
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n/an/a 360n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of N-terminally truncated recombinant human dihydroorotate dehydrogenase using in vitro enzyme assay


Bioorg Med Chem Lett 15: 4854-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.053
BindingDB Entry DOI: 10.7270/Q2HX1C7N
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM16109
PNG
(2-[(4-phenylphenyl)carbamoyl]cyclopent-1-ene-1-car...)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H17NO3/c21-18(16-7-4-8-17(16)19(22)23)20-15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H,20,21)(H,22,23)
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n/an/a 410n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of N-terminally truncated recombinant human dihydroorotate dehydrogenase using in vitro enzyme assay


Bioorg Med Chem Lett 15: 4854-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.053
BindingDB Entry DOI: 10.7270/Q2HX1C7N
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM14712
PNG
((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...)
Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,10H,1H3,(H,17,19)
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n/an/a 420n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of N-terminally truncated recombinant human dihydroorotate dehydrogenase using in vitro enzyme assay


Bioorg Med Chem Lett 15: 4854-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.053
BindingDB Entry DOI: 10.7270/Q2HX1C7N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM15344
PNG
(2-({2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)phe...)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1c(F)c(F)c(c(F)c1F)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C20H12F7NO4/c21-13-12(8-3-1-4-9(7-8)32-20(25,26)27)14(22)16(24)17(15(13)23)28-18(29)10-5-2-6-11(10)19(30)31/h1,3-4,7H,2,5-6H2,(H,28,29)(H,30,31)
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n/an/a 422n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse dihydroorotate dehydrogenase


Bioorg Med Chem Lett 15: 4854-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.053
BindingDB Entry DOI: 10.7270/Q2HX1C7N
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM15343
PNG
(2-({2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phe...)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1c(F)cc(cc1F)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C20H14F5NO4/c21-15-8-11(10-3-1-4-12(7-10)30-20(23,24)25)9-16(22)17(15)26-18(27)13-5-2-6-14(13)19(28)29/h1,3-4,7-9H,2,5-6H2,(H,26,27)(H,28,29)
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n/an/a 504n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibitory activity against rat dihydroorotate dehydrogenase


Bioorg Med Chem Lett 15: 4854-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.053
BindingDB Entry DOI: 10.7270/Q2HX1C7N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50173157
PNG
(4-(Biphenyl-4-ylcarbamoyl)-2,5-dihydro-thiophene-3...)
Show SMILES OC(=O)C1=C(CSC1)C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H15NO3S/c20-17(15-10-23-11-16(15)18(21)22)19-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,20)(H,21,22)
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n/an/a 667n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of N-terminally truncated recombinant human dihydroorotate dehydrogenase using in vitro enzyme assay


Bioorg Med Chem Lett 15: 4854-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.053
BindingDB Entry DOI: 10.7270/Q2HX1C7N
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50173153
PNG
(2-(3-Fluoro-3'-methoxy-biphenyl-4-ylcarbamoyl)-5-h...)
Show SMILES COc1cccc(c1)-c1ccc(NC(=O)C2=C(C(O)CC2)C(O)=O)c(F)c1
Show InChI InChI=1S/C20H18FNO5/c1-27-13-4-2-3-11(9-13)12-5-7-16(15(21)10-12)22-19(24)14-6-8-17(23)18(14)20(25)26/h2-5,7,9-10,17,23H,6,8H2,1H3,(H,22,24)(H,25,26)
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n/an/a 680n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of N-terminally truncated recombinant human dihydroorotate dehydrogenase using in vitro enzyme assay


Bioorg Med Chem Lett 15: 4854-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.053
BindingDB Entry DOI: 10.7270/Q2HX1C7N
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50173144
PNG
(4-[3-Chloro-4-(2-chloro-6-fluoro-benzyloxy)-phenyl...)
Show SMILES OC(=O)C1=C(COC1)C(=O)Nc1ccc(OCc2c(F)cccc2Cl)c(Cl)c1
Show InChI InChI=1S/C19H14Cl2FNO5/c20-14-2-1-3-16(22)13(14)9-28-17-5-4-10(6-15(17)21)23-18(24)11-7-27-8-12(11)19(25)26/h1-6H,7-9H2,(H,23,24)(H,25,26)
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n/an/a 1.20E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibitory activity against rat dihydroorotate dehydrogenase


Bioorg Med Chem Lett 15: 4854-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.053
BindingDB Entry DOI: 10.7270/Q2HX1C7N
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50173147
PNG
(2-(3-Fluoro-3'-methoxy-biphenyl-4-ylcarbamoyl)-3-h...)
Show SMILES COc1cccc(c1)-c1ccc(NC(=O)C2=C(CCC2O)C(O)=O)c(F)c1
Show InChI InChI=1S/C20H18FNO5/c1-27-13-4-2-3-11(9-13)12-5-7-16(15(21)10-12)22-19(24)18-14(20(25)26)6-8-17(18)23/h2-5,7,9-10,17,23H,6,8H2,1H3,(H,22,24)(H,25,26)
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n/an/a 1.46E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of N-terminally truncated recombinant human dihydroorotate dehydrogenase using in vitro enzyme assay


Bioorg Med Chem Lett 15: 4854-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.053
BindingDB Entry DOI: 10.7270/Q2HX1C7N
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM16109
PNG
(2-[(4-phenylphenyl)carbamoyl]cyclopent-1-ene-1-car...)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H17NO3/c21-18(16-7-4-8-17(16)19(22)23)20-15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H,20,21)(H,22,23)
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n/an/a 1.50E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibitory activity against rat dihydroorotate dehydrogenase


Bioorg Med Chem Lett 15: 4854-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.053
BindingDB Entry DOI: 10.7270/Q2HX1C7N
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50173144
PNG
(4-[3-Chloro-4-(2-chloro-6-fluoro-benzyloxy)-phenyl...)
Show SMILES OC(=O)C1=C(COC1)C(=O)Nc1ccc(OCc2c(F)cccc2Cl)c(Cl)c1
Show InChI InChI=1S/C19H14Cl2FNO5/c20-14-2-1-3-16(22)13(14)9-28-17-5-4-10(6-15(17)21)23-18(24)11-7-27-8-12(11)19(25)26/h1-6H,7-9H2,(H,23,24)(H,25,26)
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n/an/a 1.80E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse dihydroorotate dehydrogenase


Bioorg Med Chem Lett 15: 4854-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.053
BindingDB Entry DOI: 10.7270/Q2HX1C7N
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM15343
PNG
(2-({2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phe...)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1c(F)cc(cc1F)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C20H14F5NO4/c21-15-8-11(10-3-1-4-12(7-10)30-20(23,24)25)9-16(22)17(15)26-18(27)13-5-2-6-14(13)19(28)29/h1,3-4,7-9H,2,5-6H2,(H,26,27)(H,28,29)
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n/an/a 2.00E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse dihydroorotate dehydrogenase


Bioorg Med Chem Lett 15: 4854-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.053
BindingDB Entry DOI: 10.7270/Q2HX1C7N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50173150
PNG
(2-(4-Benzyloxy-phenylcarbamoyl)-cyclopent-1-enecar...)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C20H19NO4/c22-19(17-7-4-8-18(17)20(23)24)21-15-9-11-16(12-10-15)25-13-14-5-2-1-3-6-14/h1-3,5-6,9-12H,4,7-8,13H2,(H,21,22)(H,23,24)
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n/an/a 2.00E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of N-terminally truncated recombinant human dihydroorotate dehydrogenase using in vitro enzyme assay


Bioorg Med Chem Lett 15: 4854-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.053
BindingDB Entry DOI: 10.7270/Q2HX1C7N
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50173154
PNG
(4-(Biphenyl-4-ylcarbamoyl)-1,1-dioxo-2,5-dihydro-1...)
Show SMILES OC(=O)C1=C(CS(=O)(=O)C1)C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H15NO5S/c20-17(15-10-25(23,24)11-16(15)18(21)22)19-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,20)(H,21,22)
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n/an/a 3.80E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of N-terminally truncated recombinant human dihydroorotate dehydrogenase using in vitro enzyme assay


Bioorg Med Chem Lett 15: 4854-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.053
BindingDB Entry DOI: 10.7270/Q2HX1C7N
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM16109
PNG
(2-[(4-phenylphenyl)carbamoyl]cyclopent-1-ene-1-car...)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H17NO3/c21-18(16-7-4-8-17(16)19(22)23)20-15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H,20,21)(H,22,23)
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n/an/a 4.00E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse dihydroorotate dehydrogenase


Bioorg Med Chem Lett 15: 4854-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.053
BindingDB Entry DOI: 10.7270/Q2HX1C7N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%