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Found 914 hits Enz. Inhib. hit(s) with Target = 'Dihydroorotate dehydrogenase' AND taxid = 9606   
Target
(Institution)
LigandTarget
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))
BDBM50284844
PNG
(2-Biphenyl-4-yl-3-methyl-quinoline-4-carboxylic ac...)
Show SMILES Cc1c(nc2ccccc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H17NO2/c1-15-21(23(25)26)19-9-5-6-10-20(19)24-22(15)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,1H3,(H,25,26)
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Article
1.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition measurement of orotate formation from radiolabelled dihydroorotate, using partially purified DHODase isolated from human liver.


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM29034
PNG
(cyanohydroxybutenamide, 24)
Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(c(Cl)c1)-c1ccccc1Cl
Show InChI InChI=1S/C17H12Cl2N2O2/c1-10(22)14(9-20)17(23)21-11-6-7-13(16(19)8-11)12-4-2-3-5-15(12)18/h2-8,14H,1H3,(H,21,23)
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PubMed
2.70 -48.9 22n/an/an/an/a8.025



University of Leeds



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50119488
PNG
(CHEMBL143628 | X1-(4-Chloro-phenyl)-1H-pyrazole-3,...)
Show SMILES Clc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H19ClN4O2/c25-18-11-13-20(14-12-18)29-22(24(31)27-19-9-5-2-6-10-19)15-21(28-29)23(30)26-16-17-7-3-1-4-8-17/h1-15H,16H2,(H,26,30)(H,27,31)
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4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of dihydroorotate dehydrogenase (DHODase) of Helicobacter pylori


J Med Chem 45: 4669-78 (2002)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50119489
PNG
(1-(4-Chloro-phenyl)-1H-pyrazole-3,5-dicarboxylic a...)
Show SMILES Clc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccccc1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C23H18ClN5O2/c24-17-8-10-19(11-9-17)29-21(23(31)27-18-6-2-1-3-7-18)13-20(28-29)22(30)26-15-16-5-4-12-25-14-16/h1-14H,15H2,(H,26,30)(H,27,31)
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4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of dihydroorotate dehydrogenase (DHODase) of Helicobacter pylori


J Med Chem 45: 4669-78 (2002)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50070857
PNG
(CHEMBL50499 | Sodium; 6-fluoro-3-methyl-2-(4-pheny...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-n1ccc2c(cccc12)-c1ccccc1
Show InChI InChI=1S/C25H17FN2O2/c1-15-23(25(29)30)20-14-17(26)10-11-21(20)27-24(15)28-13-12-19-18(8-5-9-22(19)28)16-6-3-2-4-7-16/h2-14H,1H3,(H,29,30)/p-1
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4.5n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50119481
PNG
(1-(4-Chloro-phenyl)-1H-pyrazole-3,5-dicarboxylic a...)
Show SMILES NC(=O)c1ccc(NC(=O)c2cc(nn2-c2ccc(Cl)cc2)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C25H20ClN5O3/c26-18-8-12-20(13-9-18)31-22(25(34)29-19-10-6-17(7-11-19)23(27)32)14-21(30-31)24(33)28-15-16-4-2-1-3-5-16/h1-14H,15H2,(H2,27,32)(H,28,33)(H,29,34)
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6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of dihydroorotate dehydrogenase (DHODase) of Helicobacter pylori


J Med Chem 45: 4669-78 (2002)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM29026
PNG
(CHEMBL142996 | cyanocyclopropylpropenamide, 11)
Show SMILES O=C(Nc1ccc(cc1)-c1ccccc1)C(C#N)C(=O)C1CC1
Show InChI InChI=1S/C19H16N2O2/c20-12-17(18(22)15-6-7-15)19(23)21-16-10-8-14(9-11-16)13-4-2-1-3-5-13/h1-5,8-11,15,17H,6-7H2,(H,21,23)
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PubMed
7 -46.5 53n/an/an/an/a8.025



University of Leeds



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50284826
PNG
(CHEMBL288708 | Sodium; 2-biphenyl-4-yl-6-fluoro-3-...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H16FNO2/c1-14-21(23(26)27)19-13-18(24)11-12-20(19)25-22(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,26,27)/p-1
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Article
8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition measurement of orotate formation from radiolabelled dihydroorotate, using partially purified DHODase isolated from human liver.


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50119483
PNG
(1-(4-Chloro-phenyl)-1H-pyrazole-3,5-dicarboxylic a...)
Show SMILES Clc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccc(cc1)N1CCCCC1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C28H27ClN6O2/c29-21-6-10-24(11-7-21)35-26(17-25(33-35)27(36)31-19-20-5-4-14-30-18-20)28(37)32-22-8-12-23(13-9-22)34-15-2-1-3-16-34/h4-14,17-18H,1-3,15-16,19H2,(H,31,36)(H,32,37)
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8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of dihydroorotate dehydrogenase (DHODase) of Helicobacter pylori


J Med Chem 45: 4669-78 (2002)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50069968
PNG
(CHEMBL104209 | Sodium; 9-fluoro-3-phenyl-5,6-dihyd...)
Show SMILES [O-]C(=O)c1c2CCc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1
Show InChI InChI=1S/C24H16FNO2/c25-17-8-11-21-20(13-17)22(24(27)28)19-10-7-16-12-15(14-4-2-1-3-5-14)6-9-18(16)23(19)26-21/h1-6,8-9,11-13H,7,10H2,(H,27,28)/p-1
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8.30n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50284843
PNG
(2-Biphenyl-4-yl-3-methyl-6-trifluoromethyl-quinoli...)
Show SMILES Cc1c(nc2ccc(cc2c1C(O)=O)C(F)(F)F)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H16F3NO2/c1-14-21(23(29)30)19-13-18(24(25,26)27)11-12-20(19)28-22(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,29,30)
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Article
8.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition measurement of orotate formation from radiolabelled dihydroorotate, using partially purified DHODase isolated from human liver.


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50069950
PNG
(CHEMBL321060 | Sodium; 9-fluoro-3-o-tolyl-5,6-dihy...)
Show SMILES Cc1ccccc1-c1ccc-2c(CCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1
Show InChI InChI=1S/C25H18FNO2/c1-14-4-2-3-5-18(14)15-6-9-19-16(12-15)7-10-20-23(25(28)29)21-13-17(26)8-11-22(21)27-24(19)20/h2-6,8-9,11-13H,7,10H2,1H3,(H,28,29)/p-1
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10n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50284861
PNG
(2-Biphenyl-4-yl-6-fluoro-quinoline-4-carboxylic ac...)
Show SMILES OC(=O)c1cc(nc2ccc(F)cc12)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H14FNO2/c23-17-10-11-20-18(12-17)19(22(25)26)13-21(24-20)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,(H,25,26)
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Article
10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition measurement of orotate formation from radiolabelled dihydroorotate, using partially purified DHODase isolated from human liver.


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50284834
PNG
(2-Biphenyl-4-yl-3,6-dimethyl-quinoline-4-carboxyli...)
Show SMILES Cc1ccc2nc(c(C)c(C(O)=O)c2c1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H19NO2/c1-15-8-13-21-20(14-15)22(24(26)27)16(2)23(25-21)19-11-9-18(10-12-19)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,26,27)
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition measurement of orotate formation from radiolabelled dihydroorotate, using partially purified DHODase isolated from human liver.


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM29025
PNG
(cyanohydroxybutenamide, 10)
Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H14N2O2/c1-12(20)16(11-18)17(21)19-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16H,1H3,(H,19,21)
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11 -45.4 90n/an/an/an/a8.025



University of Leeds



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50284867
PNG
(CHEMBL43639 | Sodium; 6-fluoro-2-(2'-fluoro-4'-hyd...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c1ccc(cc1)-c1ccc(O)cc1F
Show InChI InChI=1S/C23H15F2NO3/c1-12-21(23(28)29)18-10-15(24)6-9-20(18)26-22(12)14-4-2-13(3-5-14)17-8-7-16(27)11-19(17)25/h2-11,27H,1H3,(H,28,29)/p-1
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11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition measurement of orotate formation from radiolabelled dihydroorotate, using partially purified DHODase isolated from human liver.


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50069959
PNG
(Brequinar sodium | CHEMBL300058 | Sodium; 6-fluoro...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c1ccc(cc1)-c1ccccc1F
Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)/p-1
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12n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50119485
PNG
(1-(4-Methoxy-phenyl)-1H-pyrazole-3,5-dicarboxylic ...)
Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccccc1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C24H21N5O3/c1-32-20-11-9-19(10-12-20)29-22(24(31)27-18-7-3-2-4-8-18)14-21(28-29)23(30)26-16-17-6-5-13-25-15-17/h2-15H,16H2,1H3,(H,26,30)(H,27,31)
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12n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of dihydroorotate dehydrogenase (DHODase) of Helicobacter pylori


J Med Chem 45: 4669-78 (2002)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM15339
PNG
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F
Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition measurement of orotate formation from radiolabelled dihydroorotate, using partially purified DHODase isolated from human liver.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50069959
PNG
(Brequinar sodium | CHEMBL300058 | Sodium; 6-fluoro...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c1ccc(cc1)-c1ccccc1F
Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)/p-1
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12n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50284858
PNG
(2-Biphenyl-4-yl-6-fluoro-3-methylsulfanyl-quinolin...)
Show SMILES CSc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H16FNO2S/c1-28-22-20(23(26)27)18-13-17(24)11-12-19(18)25-21(22)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13H,1H3,(H,26,27)
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13n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition measurement of orotate formation from radiolabelled dihydroorotate, using partially purified DHODase isolated from human liver.


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50284853
PNG
(2-Biphenyl-4-yl-6-fluoro-3-methoxy-quinoline-4-car...)
Show SMILES COc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H16FNO3/c1-28-22-20(23(26)27)18-13-17(24)11-12-19(18)25-21(22)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13H,1H3,(H,26,27)
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13n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition measurement of orotate formation from radiolabelled dihydroorotate, using partially purified DHODase isolated from human liver.


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50069939
PNG
(CHEMBL106467 | Sodium; 9-fluoro-3-p-tolyl-6H-thioc...)
Show SMILES Cc1ccc(cc1)-c1ccc-2c(SCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1
Show InChI InChI=1S/C24H16FNO2S/c1-13-2-4-14(5-3-13)15-6-8-17-21(10-15)29-12-19-22(24(27)28)18-11-16(25)7-9-20(18)26-23(17)19/h2-11H,12H2,1H3,(H,27,28)/p-1
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13n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM29024
PNG
(CHEMBL141732 | cyanocyclopropylpropenamide, 4)
Show SMILES FC(F)(F)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C14H11F3N2O2/c15-14(16,17)9-3-5-10(6-4-9)19-13(21)11(7-18)12(20)8-1-2-8/h3-6,8,11H,1-2H2,(H,19,21)
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14 -44.8 117n/an/an/an/a8.025



University of Leeds



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50070838
PNG
(CHEMBL51082 | Sodium; 6-fluoro-3-methyl-2-(4-pheny...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)N1CCc2c1cccc2-c1ccccc1
Show InChI InChI=1S/C25H19FN2O2/c1-15-23(25(29)30)20-14-17(26)10-11-21(20)27-24(15)28-13-12-19-18(8-5-9-22(19)28)16-6-3-2-4-7-16/h2-11,14H,12-13H2,1H3,(H,29,30)/p-1
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15n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM29037
PNG
(cyanohydroxybutenamide, 27)
Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)-c1ccccc1Cl
Show InChI InChI=1S/C17H13ClN2O2/c1-11(21)15(10-19)17(22)20-13-8-6-12(7-9-13)14-4-2-3-5-16(14)18/h2-9,15H,1H3,(H,20,22)
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16 -44.5 130n/an/an/an/a8.025



University of Leeds



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM29039
PNG
(cyanohydroxybutenamide, 29)
Show SMILES CCOc1cccc(c1)-c1ccc(NC(=O)C(C#N)C(C)=O)cc1
Show InChI InChI=1S/C19H18N2O3/c1-3-24-17-6-4-5-15(11-17)14-7-9-16(10-8-14)21-19(23)18(12-20)13(2)22/h4-11,18H,3H2,1-2H3,(H,21,23)
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16 -44.5 130n/an/an/an/a8.025



University of Leeds



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50069951
PNG
(CHEMBL104302 | Sodium; 9-fluoro-3-phenyl-6H-thioch...)
Show SMILES [O-]C(=O)c1c2CSc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1
Show InChI InChI=1S/C23H14FNO2S/c24-15-7-9-19-17(11-15)21(23(26)27)18-12-28-20-10-14(13-4-2-1-3-5-13)6-8-16(20)22(18)25-19/h1-11H,12H2,(H,26,27)/p-1
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17n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50284838
PNG
(9-Fluoro-3-phenyl-5,6-dihydro-benzo[c]acridine-7-c...)
Show SMILES OC(=O)c1c2CCc3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1
Show InChI InChI=1S/C24H16FNO2/c25-17-8-11-21-20(13-17)22(24(27)28)19-10-7-16-12-15(14-4-2-1-3-5-14)6-9-18(16)23(19)26-21/h1-6,8-9,11-13H,7,10H2,(H,27,28)
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17n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition measurement of orotate formation from radiolabelled dihydroorotate, using partially purified DHODase isolated from human liver.


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50284862
PNG
(2-Biphenyl-4-yl-6-chloro-3-methyl-quinoline-4-carb...)
Show SMILES Cc1c(nc2ccc(Cl)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H16ClNO2/c1-14-21(23(26)27)19-13-18(24)11-12-20(19)25-22(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,26,27)
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20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition measurement of orotate formation from radiolabelled dihydroorotate, using partially purified DHODase isolated from human liver.


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50069943
PNG
(CHEMBL106515 | Sodium; 9-fluoro-3-(2-methoxy-pheny...)
Show SMILES COc1ccccc1-c1ccc-2c(CCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1
Show InChI InChI=1S/C25H18FNO3/c1-30-22-5-3-2-4-17(22)14-6-9-18-15(12-14)7-10-19-23(25(28)29)20-13-16(26)8-11-21(20)27-24(18)19/h2-6,8-9,11-13H,7,10H2,1H3,(H,28,29)/p-1
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20n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM29028
PNG
(cyanohydroxybutenamide, 18)
Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1C(F)(F)F)-c1ccccc1Cl
Show InChI InChI=1S/C18H12ClF3N2O2/c1-10(25)13(9-23)17(26)24-16-7-6-11(8-14(16)18(20,21)22)12-4-2-3-5-15(12)19/h2-8,13H,1H3,(H,24,26)
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21 -43.8 170n/an/an/an/a8.025



University of Leeds



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50070832
PNG
(CHEMBL49129 | Sodium; 2-(biphenyl-3-yloxy)-6-fluor...)
Show SMILES Cc1c(Oc2cccc(c2)-c2ccccc2)nc2ccc(F)cc2c1C([O-])=O
Show InChI InChI=1S/C23H16FNO3/c1-14-21(23(26)27)19-13-17(24)10-11-20(19)25-22(14)28-18-9-5-8-16(12-18)15-6-3-2-4-7-15/h2-13H,1H3,(H,26,27)/p-1
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21n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM29027
PNG
(cyanohydroxybutenamide, 17)
Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1Cl)-c1ccccc1Cl
Show InChI InChI=1S/C17H12Cl2N2O2/c1-10(22)13(9-20)17(23)21-16-7-6-11(8-15(16)19)12-4-2-3-5-14(12)18/h2-8,13H,1H3,(H,21,23)
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22 -43.7 180n/an/an/an/a8.025



University of Leeds



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50070851
PNG
(CHEMBL48531 | Sodium; 6-fluoro-2-(6-methoxy-4-phen...)
Show SMILES COc1cc2N(CCc2c(c1)-c1ccccc1)c1nc2ccc(F)cc2c(C([O-])=O)c1C
Show InChI InChI=1S/C26H21FN2O3/c1-15-24(26(30)31)21-12-17(27)8-9-22(21)28-25(15)29-11-10-19-20(16-6-4-3-5-7-16)13-18(32-2)14-23(19)29/h3-9,12-14H,10-11H2,1-2H3,(H,30,31)/p-1
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22n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM29035
PNG
(cyanohydroxybutenamide, 25)
Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(c(Cl)c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H12Cl2N2O2/c1-10(22)15(9-20)17(23)21-13-5-6-14(16(19)8-13)11-3-2-4-12(18)7-11/h2-8,15H,1H3,(H,21,23)
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23 -43.6 190n/an/an/an/a8.025



University of Leeds



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50070844
PNG
(CHEMBL49089 | Sodium; 6-fluoro-3-methyl-2-[1-methy...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c1cn(C)c2c(cccc12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H18F4N2O2/c1-14-23(26(34)35)20-12-17(28)9-10-22(20)32-24(14)21-13-33(2)25-18(7-4-8-19(21)25)15-5-3-6-16(11-15)27(29,30)31/h3-13H,1-2H3,(H,34,35)/p-1
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23n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50284830
PNG
(CHEMBL38421 | Sodium; 6-fluoro-3-methyl-2-(4'-meth...)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)-c1nc2ccc(F)cc2c(C([O-])=O)c1C
Show InChI InChI=1S/C24H18FNO2/c1-14-3-5-16(6-4-14)17-7-9-18(10-8-17)23-15(2)22(24(27)28)20-13-19(25)11-12-21(20)26-23/h3-13H,1-2H3,(H,27,28)/p-1
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24n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition measurement of orotate formation from radiolabelled dihydroorotate, using partially purified DHODase isolated from human liver.


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50070837
PNG
(CHEMBL49913 | Sodium; 6-fluoro-3-methyl-2-[4-(3-tr...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)N1CCc2c1cccc2-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H18F4N2O2/c1-14-23(25(33)34)20-13-17(27)8-9-21(20)31-24(14)32-11-10-19-18(6-3-7-22(19)32)15-4-2-5-16(12-15)26(28,29)30/h2-9,12-13H,10-11H2,1H3,(H,33,34)/p-1
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24n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50070841
PNG
(CHEMBL49697 | Sodium; 6-fluoro-2-[4-(2-fluoro-phen...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)N1CCc2c1cccc2-c1ccccc1F
Show InChI InChI=1S/C25H18F2N2O2/c1-14-23(25(30)31)19-13-15(26)9-10-21(19)28-24(14)29-12-11-18-16(6-4-8-22(18)29)17-5-2-3-7-20(17)27/h2-10,13H,11-12H2,1H3,(H,30,31)/p-1
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24n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM29036
PNG
(cyanohydroxybutenamide, 26)
Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C17H12Cl2N2O2/c1-10(22)14(9-20)17(23)21-12-7-5-11(6-8-12)13-3-2-4-15(18)16(13)19/h2-8,14H,1H3,(H,21,23)
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25 -43.4 200n/an/an/an/a8.025



University of Leeds



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM29029
PNG
(cyanohydroxybutenamide, 19)
Show SMILES COc1ccccc1-c1ccc(NC(=O)C(C#N)C(C)=O)c(Cl)c1
Show InChI InChI=1S/C18H15ClN2O3/c1-11(22)14(10-20)18(23)21-16-8-7-12(9-15(16)19)13-5-3-4-6-17(13)24-2/h3-9,14H,1-2H3,(H,21,23)
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25 -43.4 200n/an/an/an/a8.025



University of Leeds



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50284846
PNG
(2-Biphenyl-4-yl-5-chloro-3-methyl-quinoline-4-carb...)
Show SMILES Cc1c(nc2cccc(Cl)c2c1C(O)=O)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H16ClNO2/c1-14-20(23(26)27)21-18(24)8-5-9-19(21)25-22(14)17-12-10-16(11-13-17)15-6-3-2-4-7-15/h2-13H,1H3,(H,26,27)
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25n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition measurement of orotate formation from radiolabelled dihydroorotate, using partially purified DHODase isolated from human liver.


Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50069948
PNG
(CHEMBL107209 | Sodium; 9-fluoro-3-(3-methoxy-pheny...)
Show SMILES COc1cccc(c1)-c1ccc-2c(CCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1
Show InChI InChI=1S/C25H18FNO3/c1-30-18-4-2-3-14(12-18)15-5-8-19-16(11-15)6-9-20-23(25(28)29)21-13-17(26)7-10-22(21)27-24(19)20/h2-5,7-8,10-13H,6,9H2,1H3,(H,28,29)/p-1
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25n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50069958
PNG
(CHEMBL104146 | Sodium; 9-fluoro-3-o-tolyl-5H-6-thi...)
Show SMILES Cc1ccccc1-c1ccc-2c(CSc3c-2nc2ccc(F)cc2c3C([O-])=O)c1
Show InChI InChI=1S/C24H16FNO2S/c1-13-4-2-3-5-17(13)14-6-8-18-15(10-14)12-29-23-21(24(27)28)19-11-16(25)7-9-20(19)26-22(18)23/h2-11H,12H2,1H3,(H,27,28)/p-1
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25n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50070846
PNG
(CHEMBL48244 | Sodium; 6-fluoro-3-methyl-2-(4-o-tol...)
Show SMILES Cc1ccccc1-c1cccc2N(CCc12)c1nc2ccc(F)cc2c(C([O-])=O)c1C
Show InChI InChI=1S/C26H21FN2O2/c1-15-6-3-4-7-18(15)19-8-5-9-23-20(19)12-13-29(23)25-16(2)24(26(30)31)21-14-17(27)10-11-22(21)28-25/h3-11,14H,12-13H2,1-2H3,(H,30,31)/p-1
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25n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50119490
PNG
(1-(4-Methoxy-phenyl)-1H-pyrazole-3,5-dicarboxylic ...)
Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C30H29N5O4/c1-39-25-15-13-24(14-16-25)35-27(19-26(33-35)28(36)31-20-21-7-3-2-4-8-21)29(37)32-23-11-9-22(10-12-23)30(38)34-17-5-6-18-34/h2-4,7-16,19H,5-6,17-18,20H2,1H3,(H,31,36)(H,32,37)
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26n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of dihydroorotate dehydrogenase (DHODase) of Helicobacter pylori


J Med Chem 45: 4669-78 (2002)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50070839
PNG
(CHEMBL48928 | Sodium; 6-fluoro-3-methyl-2-(5-pheny...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c1cccc2c(cccc12)-c1ccccc1
Show InChI InChI=1S/C27H18FNO2/c1-16-25(27(30)31)23-15-18(28)13-14-24(23)29-26(16)22-12-6-10-20-19(9-5-11-21(20)22)17-7-3-2-4-8-17/h2-15H,1H3,(H,30,31)/p-1
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26n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50070833
PNG
(CHEMBL417722 | Sodium; 6-fluoro-3-methyl-2-(1-meth...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c1cn(C)c2c(cccc12)-c1ccccc1
Show InChI InChI=1S/C26H19FN2O2/c1-15-23(26(30)31)20-13-17(27)11-12-22(20)28-24(15)21-14-29(2)25-18(9-6-10-19(21)25)16-7-4-3-5-8-16/h3-14H,1-2H3,(H,30,31)/p-1
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27n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the for...


Bioorg Med Chem Lett 8: 1745-50 (1999)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50069941
PNG
(CHEMBL321163 | Sodium; 9-fluoro-3-o-tolyl-6H-thioc...)
Show SMILES Cc1ccccc1-c1ccc-2c(SCc3c-2nc2ccc(F)cc2c3C([O-])=O)c1
Show InChI InChI=1S/C24H16FNO2S/c1-13-4-2-3-5-16(13)14-6-8-17-21(10-14)29-12-19-22(24(27)28)18-11-15(25)7-9-20(18)26-23(17)19/h2-11H,12H2,1H3,(H,27,28)/p-1
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27n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)


Bioorg Med Chem Lett 8: 307-12 (1999)

More data for this
Ligand-Target Pair
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