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PubMed code 8917650

Compile data set for download or QSAR
Found 140 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 (DHODH)


(Rattus norvegicus (rat))
BDBM50054585
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-trifluoro...)
Show SMILES FC(F)(F)S(=O)(=O)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C14H11F3N2O4S/c15-14(16,17)24(22,23)10-5-3-9(4-6-10)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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PubMed
n/an/a 3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054573
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-trifluoro...)
Show SMILES FC(F)(F)Sc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C14H11F3N2O2S/c15-14(16,17)22-10-5-3-9(4-6-10)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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n/an/a 5n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054556
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-trifluoro...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C14H11F3N2O3/c15-14(16,17)22-10-5-3-9(4-6-10)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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n/an/a 5n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054601
PNG
(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)
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n/an/a 9n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054541
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(3-methyl-4-...)
Show SMILES Cc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1C(F)(F)C(F)(F)F
Show InChI InChI=1S/C16H13F5N2O2/c1-8-6-10(4-5-12(8)15(17,18)16(19,20)21)23-14(25)11(7-22)13(24)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,23,25)
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n/an/a 11n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054590
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(3-methyl-4-...)
Show SMILES Cc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1SC(F)(F)F
Show InChI InChI=1S/C15H13F3N2O2S/c1-8-6-10(4-5-12(8)23-15(16,17)18)20-14(22)11(7-19)13(21)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,20,22)
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n/an/a 11n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
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 13n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054552
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-methylsul...)
Show SMILES CSc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C14H14N2O2S/c1-19-11-6-4-10(5-7-11)16-14(18)12(8-15)13(17)9-2-3-9/h4-7,9,12H,2-3H2,1H3,(H,16,18)
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n/an/a 13n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054560
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(3-methyl-4-...)
Show SMILES Cc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1C(F)(F)F
Show InChI InChI=1S/C15H13F3N2O2/c1-8-6-10(4-5-12(8)15(16,17)18)20-14(22)11(7-19)13(21)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,20,22)
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n/an/a 14n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054581
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-trifluoro...)
Show SMILES FC(F)(F)S(=O)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C14H11F3N2O3S/c15-14(16,17)23(22)10-5-3-9(4-6-10)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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n/an/a 16n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054597
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(5-trifluoro...)
Show SMILES FC(F)(F)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)nc1
Show InChI InChI=1S/C13H10F3N3O2/c14-13(15,16)8-3-4-10(18-6-8)19-12(21)9(5-17)11(20)7-1-2-7/h3-4,6-7,9H,1-2H2,(H,18,19,21)
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n/an/a 17n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054574
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(3-methyl-4-...)
Show SMILES Cc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1OC(F)(F)F
Show InChI InChI=1S/C15H13F3N2O3/c1-8-6-10(4-5-12(8)23-15(16,17)18)20-14(22)11(7-19)13(21)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,20,22)
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n/an/a 18n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
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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n/an/a 21n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054557
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-nitro-phe...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)C(=C=[N-])C(=[OH+])C2CC2)cc1
Show InChI InChI=1S/C13H10N3O4/c14-7-11(12(17)8-1-2-8)13(18)15-9-3-5-10(6-4-9)16(19)20/h3-6,8H,1-2H2,(H,15,18)/q-1/p+1
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n/an/a 21n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50407985
PNG
(CHEMBL2111978)
Show SMILES Clc1ccc(\C=C/c2ccc(NC(=O)C(C#N)C(=O)C3CC3)cc2)cc1
Show InChI InChI=1S/C21H17ClN2O2/c22-17-9-3-14(4-10-17)1-2-15-5-11-18(12-6-15)24-21(26)19(13-23)20(25)16-7-8-16/h1-6,9-12,16,19H,7-8H2,(H,24,26)/b2-1-
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n/an/a 22n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054600
PNG
((Z)-2-Cyano-3-hydroxy-penta-2,4-dienoic acid (4-tr...)
Show SMILES FC(F)(F)c1ccc(NC(=O)C(C#N)C(=O)C=C)cc1
Show InChI InChI=1S/C13H9F3N2O2/c1-2-11(19)10(7-17)12(20)18-9-5-3-8(4-6-9)13(14,15)16/h2-6,10H,1H2,(H,18,20)
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n/an/a 23n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054553
PNG
((Z)-2-Cyano-N-(4-cyano-3-methyl-phenyl)-3-cyclopro...)
Show SMILES Cc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1C#N
Show InChI InChI=1S/C15H13N3O2/c1-9-6-12(5-4-11(9)7-16)18-15(20)13(8-17)14(19)10-2-3-10/h4-6,10,13H,2-3H2,1H3,(H,18,20)
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n/an/a 28n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054601
PNG
(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)
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n/an/a 30n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054594
PNG
((Z)-N-(4-Chloro-3-methyl-phenyl)-2-cyano-3-cyclopr...)
Show SMILES Cc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1Cl
Show InChI InChI=1S/C14H13ClN2O2/c1-8-6-10(4-5-12(8)15)17-14(19)11(7-16)13(18)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,17,19)
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n/an/a 33n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054553
PNG
((Z)-2-Cyano-N-(4-cyano-3-methyl-phenyl)-3-cyclopro...)
Show SMILES Cc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1C#N
Show InChI InChI=1S/C15H13N3O2/c1-9-6-12(5-4-11(9)7-16)18-15(20)13(8-17)14(19)10-2-3-10/h4-6,10,13H,2-3H2,1H3,(H,18,20)
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n/an/a 36n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054548
PNG
((Z)-N-(4-Bromo-phenyl)-2-cyano-3-cyclopropyl-3-hyd...)
Show SMILES Brc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C13H11BrN2O2/c14-9-3-5-10(6-4-9)16-13(18)11(7-15)12(17)8-1-2-8/h3-6,8,11H,1-2H2,(H,16,18)
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n/an/a 36n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054584
PNG
((Z)-N-(4-Chloro-phenyl)-2-cyano-3-cyclopropyl-3-hy...)
Show SMILES Clc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C13H11ClN2O2/c14-9-3-5-10(6-4-9)16-13(18)11(7-15)12(17)8-1-2-8/h3-6,8,11H,1-2H2,(H,16,18)
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n/an/a 36n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054549
PNG
((Z)-N-(5-Bromo-pyridin-2-yl)-2-cyano-3-cyclopropyl...)
Show SMILES Brc1ccc(NC(=O)C(C#N)C(=O)C2CC2)nc1
Show InChI InChI=1S/C12H10BrN3O2/c13-8-3-4-10(15-6-8)16-12(18)9(5-14)11(17)7-1-2-7/h3-4,6-7,9H,1-2H2,(H,15,16,18)
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n/an/a 37n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50407985
PNG
(CHEMBL2111978)
Show SMILES Clc1ccc(\C=C/c2ccc(NC(=O)C(C#N)C(=O)C3CC3)cc2)cc1
Show InChI InChI=1S/C21H17ClN2O2/c22-17-9-3-14(4-10-17)1-2-15-5-11-18(12-6-15)24-21(26)19(13-23)20(25)16-7-8-16/h1-6,9-12,16,19H,7-8H2,(H,24,26)/b2-1-
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n/an/a 40n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054564
PNG
((Z)-2-Cyano-3-cyclopropyl-N-(3-ethyl-4-trifluorome...)
Show SMILES CCc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1C(F)(F)F
Show InChI InChI=1S/C16H15F3N2O2/c1-2-9-7-11(5-6-13(9)16(17,18)19)21-15(23)12(8-20)14(22)10-3-4-10/h5-7,10,12H,2-4H2,1H3,(H,21,23)
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n/an/a 40n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054594
PNG
((Z)-N-(4-Chloro-3-methyl-phenyl)-2-cyano-3-cyclopr...)
Show SMILES Cc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1Cl
Show InChI InChI=1S/C14H13ClN2O2/c1-8-6-10(4-5-12(8)15)17-14(19)11(7-16)13(18)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,17,19)
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n/an/a 40n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054587
PNG
((Z)-2-Cyano-N-(4-cyano-phenyl)-3-cyclopropyl-3-hyd...)
Show SMILES O=C(Nc1ccc(cc1)C#N)C(C#N)C(=O)C1CC1
Show InChI InChI=1S/C14H11N3O2/c15-7-9-1-5-11(6-2-9)17-14(19)12(8-16)13(18)10-3-4-10/h1-2,5-6,10,12H,3-4H2,(H,17,19)
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n/an/a 42n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
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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n/an/a 47n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054578
PNG
((Z)-N-(4-Bromo-3-methyl-phenyl)-2-cyano-3-cyclopro...)
Show SMILES Cc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1Br
Show InChI InChI=1S/C14H13BrN2O2/c1-8-6-10(4-5-12(8)15)17-14(19)11(7-16)13(18)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,17,19)
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n/an/a 50n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054557
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-nitro-phe...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)C(=C=[N-])C(=[OH+])C2CC2)cc1
Show InChI InChI=1S/C13H10N3O4/c14-7-11(12(17)8-1-2-8)13(18)15-9-3-5-10(6-4-9)16(19)20/h3-6,8H,1-2H2,(H,15,18)/q-1/p+1
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n/an/a 50n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054587
PNG
((Z)-2-Cyano-N-(4-cyano-phenyl)-3-cyclopropyl-3-hyd...)
Show SMILES O=C(Nc1ccc(cc1)C#N)C(C#N)C(=O)C1CC1
Show InChI InChI=1S/C14H11N3O2/c15-7-9-1-5-11(6-2-9)17-14(19)12(8-16)13(18)10-3-4-10/h1-2,5-6,10,12H,3-4H2,(H,17,19)
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n/an/a 53n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054560
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(3-methyl-4-...)
Show SMILES Cc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1C(F)(F)F
Show InChI InChI=1S/C15H13F3N2O2/c1-8-6-10(4-5-12(8)15(16,17)18)20-14(22)11(7-19)13(21)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,20,22)
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n/an/a 55n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054584
PNG
((Z)-N-(4-Chloro-phenyl)-2-cyano-3-cyclopropyl-3-hy...)
Show SMILES Clc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C13H11ClN2O2/c14-9-3-5-10(6-4-9)16-13(18)11(7-15)12(17)8-1-2-8/h3-6,8,11H,1-2H2,(H,16,18)
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n/an/a 63n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054565
PNG
((2Z,4E)-2-Cyano-3-hydroxy-hexa-2,4-dienoic acid (4...)
Show SMILES CC=CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H11F3N2O2/c1-2-3-12(20)11(8-18)13(21)19-10-6-4-9(5-7-10)14(15,16)17/h2-7,11H,1H3,(H,19,21)
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n/an/a 63n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054578
PNG
((Z)-N-(4-Bromo-3-methyl-phenyl)-2-cyano-3-cyclopro...)
Show SMILES Cc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1Br
Show InChI InChI=1S/C14H13BrN2O2/c1-8-6-10(4-5-12(8)15)17-14(19)11(7-16)13(18)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,17,19)
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n/an/a 63n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054606
PNG
((Z)-N-(4-Acetyl-phenyl)-2-cyano-3-cyclopropyl-3-hy...)
Show SMILES CC(=O)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C15H14N2O3/c1-9(18)10-4-6-12(7-5-10)17-15(20)13(8-16)14(19)11-2-3-11/h4-7,11,13H,2-3H2,1H3,(H,17,20)
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n/an/a 68n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
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 69n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054564
PNG
((Z)-2-Cyano-3-cyclopropyl-N-(3-ethyl-4-trifluorome...)
Show SMILES CCc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1C(F)(F)F
Show InChI InChI=1S/C16H15F3N2O2/c1-2-9-7-11(5-6-13(9)16(17,18)19)21-15(23)12(8-20)14(22)10-3-4-10/h5-7,10,12H,2-4H2,1H3,(H,21,23)
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n/an/a 71n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054555
PNG
((Z)-N-(5-Chloro-pyridin-2-yl)-2-cyano-3-cyclopropy...)
Show SMILES Clc1ccc(NC(=O)C(C#N)C(=O)C2CC2)nc1
Show InChI InChI=1S/C12H10ClN3O2/c13-8-3-4-10(15-6-8)16-12(18)9(5-14)11(17)7-1-2-7/h3-4,6-7,9H,1-2H2,(H,15,16,18)
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n/an/a 76n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054548
PNG
((Z)-N-(4-Bromo-phenyl)-2-cyano-3-cyclopropyl-3-hyd...)
Show SMILES Brc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C13H11BrN2O2/c14-9-3-5-10(6-4-9)16-13(18)11(7-15)12(17)8-1-2-8/h3-6,8,11H,1-2H2,(H,16,18)
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n/an/a 79n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054591
PNG
((Z)-N-(3-Chloro-4-methyl-phenyl)-2-cyano-3-cyclopr...)
Show SMILES Cc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1Cl
Show InChI InChI=1S/C14H13ClN2O2/c1-8-2-5-10(6-12(8)15)17-14(19)11(7-16)13(18)9-3-4-9/h2,5-6,9,11H,3-4H2,1H3,(H,17,19)
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n/an/a 79n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054585
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-trifluoro...)
Show SMILES FC(F)(F)S(=O)(=O)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C14H11F3N2O4S/c15-14(16,17)24(22,23)10-5-3-9(4-6-10)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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n/an/a 89n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054573
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-trifluoro...)
Show SMILES FC(F)(F)Sc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C14H11F3N2O2S/c15-14(16,17)22-10-5-3-9(4-6-10)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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n/an/a 100n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054565
PNG
((2Z,4E)-2-Cyano-3-hydroxy-hexa-2,4-dienoic acid (4...)
Show SMILES CC=CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H11F3N2O2/c1-2-3-12(20)11(8-18)13(21)19-10-6-4-9(5-7-10)14(15,16)17/h2-7,11H,1H3,(H,19,21)
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n/an/a 107n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054589
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-phenethyl...)
Show SMILES O=C(Nc1ccc(CCc2ccccc2)cc1)C(C#N)C(=O)C1CC1
Show InChI InChI=1S/C21H20N2O2/c22-14-19(20(24)17-10-11-17)21(25)23-18-12-8-16(9-13-18)7-6-15-4-2-1-3-5-15/h1-5,8-9,12-13,17,19H,6-7,10-11H2,(H,23,25)
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n/an/a 138n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054545
PNG
(4-((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-acryloylami...)
Show SMILES COC(=O)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C15H14N2O4/c1-21-15(20)10-4-6-11(7-5-10)17-14(19)12(8-16)13(18)9-2-3-9/h4-7,9,12H,2-3H2,1H3,(H,17,19)
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n/an/a 158n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054597
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(5-trifluoro...)
Show SMILES FC(F)(F)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)nc1
Show InChI InChI=1S/C13H10F3N3O2/c14-13(15,16)8-3-4-10(18-6-8)19-12(21)9(5-17)11(20)7-1-2-7/h3-4,6-7,9H,1-2H2,(H,18,19,21)
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n/an/a 158n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054549
PNG
((Z)-N-(5-Bromo-pyridin-2-yl)-2-cyano-3-cyclopropyl...)
Show SMILES Brc1ccc(NC(=O)C(C#N)C(=O)C2CC2)nc1
Show InChI InChI=1S/C12H10BrN3O2/c13-8-3-4-10(15-6-8)16-12(18)9(5-14)11(17)7-1-2-7/h3-4,6-7,9H,1-2H2,(H,15,16,18)
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n/an/a 158n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054579
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-methanesu...)
Show SMILES CS(=O)(=O)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C14H14N2O4S/c1-21(19,20)11-6-4-10(5-7-11)16-14(18)12(8-15)13(17)9-2-3-9/h4-7,9,12H,2-3H2,1H3,(H,16,18)
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n/an/a 158n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054556
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-trifluoro...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C14H11F3N2O3/c15-14(16,17)22-10-5-3-9(4-6-10)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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n/an/a 173n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054600
PNG
((Z)-2-Cyano-3-hydroxy-penta-2,4-dienoic acid (4-tr...)
Show SMILES FC(F)(F)c1ccc(NC(=O)C(C#N)C(=O)C=C)cc1
Show InChI InChI=1S/C13H9F3N2O2/c1-2-11(19)10(7-17)12(20)18-9-5-3-8(4-6-9)13(14,15)16/h2-6,10H,1H2,(H,18,20)
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n/an/a 178n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054590
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(3-methyl-4-...)
Show SMILES Cc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1SC(F)(F)F
Show InChI InChI=1S/C15H13F3N2O2S/c1-8-6-10(4-5-12(8)23-15(16,17)18)20-14(22)11(7-19)13(21)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,20,22)
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n/an/a 178n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054574
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(3-methyl-4-...)
Show SMILES Cc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1OC(F)(F)F
Show InChI InChI=1S/C15H13F3N2O3/c1-8-6-10(4-5-12(8)23-15(16,17)18)20-14(22)11(7-19)13(21)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,20,22)
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n/an/a 178n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054586
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-methoxy-p...)
Show SMILES COc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C14H14N2O3/c1-19-11-6-4-10(5-7-11)16-14(18)12(8-15)13(17)9-2-3-9/h4-7,9,12H,2-3H2,1H3,(H,16,18)
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n/an/a 186n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054543
PNG
((Z)-2-Cyano-3-hydroxy-4-methyl-penta-2,4-dienoic a...)
Show SMILES CC(=C)C(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H11F3N2O2/c1-8(2)12(20)11(7-18)13(21)19-10-5-3-9(4-6-10)14(15,16)17/h3-6,11H,1H2,2H3,(H,19,21)
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n/an/a 195n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054555
PNG
((Z)-N-(5-Chloro-pyridin-2-yl)-2-cyano-3-cyclopropy...)
Show SMILES Clc1ccc(NC(=O)C(C#N)C(=O)C2CC2)nc1
Show InChI InChI=1S/C12H10ClN3O2/c13-8-3-4-10(15-6-8)16-12(18)9(5-14)11(17)7-1-2-7/h3-4,6-7,9H,1-2H2,(H,15,16,18)
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n/an/a 200n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054550
PNG
((Z)-2-Cyano-3-cyclobutyl-3-hydroxy-N-(4-trifluorom...)
Show SMILES FC(F)(F)c1ccc(NC(=O)C(C#N)C(=O)C2CCC2)cc1
Show InChI InChI=1S/C15H13F3N2O2/c16-15(17,18)10-4-6-11(7-5-10)20-14(22)12(8-19)13(21)9-2-1-3-9/h4-7,9,12H,1-3H2,(H,20,22)
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n/an/a 209n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054547
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-p-tolyl-acry...)
Show SMILES Cc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C14H14N2O2/c1-9-2-6-11(7-3-9)16-14(18)12(8-15)13(17)10-4-5-10/h2-3,6-7,10,12H,4-5H2,1H3,(H,16,18)
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n/an/a 234n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054543
PNG
((Z)-2-Cyano-3-hydroxy-4-methyl-penta-2,4-dienoic a...)
Show SMILES CC(=C)C(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H11F3N2O2/c1-8(2)12(20)11(7-18)13(21)19-10-5-3-9(4-6-10)14(15,16)17/h3-6,11H,1H2,2H3,(H,19,21)
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n/an/a 251n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054550
PNG
((Z)-2-Cyano-3-cyclobutyl-3-hydroxy-N-(4-trifluorom...)
Show SMILES FC(F)(F)c1ccc(NC(=O)C(C#N)C(=O)C2CCC2)cc1
Show InChI InChI=1S/C15H13F3N2O2/c16-15(17,18)10-4-6-11(7-5-10)20-14(22)12(8-19)13(21)9-2-1-3-9/h4-7,9,12H,1-3H2,(H,20,22)
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n/an/a 282n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054541
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(3-methyl-4-...)
Show SMILES Cc1cc(NC(=O)C(C#N)C(=O)C2CC2)ccc1C(F)(F)C(F)(F)F
Show InChI InChI=1S/C16H13F5N2O2/c1-8-6-10(4-5-12(8)15(17,18)16(19,20)21)23-14(25)11(7-22)13(24)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,23,25)
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n/an/a 282n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054591
PNG
((Z)-N-(3-Chloro-4-methyl-phenyl)-2-cyano-3-cyclopr...)
Show SMILES Cc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1Cl
Show InChI InChI=1S/C14H13ClN2O2/c1-8-2-5-10(6-12(8)15)17-14(19)11(7-16)13(18)9-3-4-9/h2,5-6,9,11H,3-4H2,1H3,(H,17,19)
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n/an/a 282n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054547
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-p-tolyl-acry...)
Show SMILES Cc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C14H14N2O2/c1-9-2-6-11(7-3-9)16-14(18)12(8-15)13(17)10-4-5-10/h2-3,6-7,10,12H,4-5H2,1H3,(H,16,18)
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n/an/a 288n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054563
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-phenoxy-p...)
Show SMILES O=C(Nc1ccc(Oc2ccccc2)cc1)C(C#N)C(=O)C1CC1
Show InChI InChI=1S/C19H16N2O3/c20-12-17(18(22)13-6-7-13)19(23)21-14-8-10-16(11-9-14)24-15-4-2-1-3-5-15/h1-5,8-11,13,17H,6-7H2,(H,21,23)
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n/an/a 290n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054558
PNG
((Z)-N-(3-Chloro-phenyl)-2-cyano-3-cyclopropyl-3-hy...)
Show SMILES Clc1cccc(NC(=O)C(C#N)C(=O)C2CC2)c1
Show InChI InChI=1S/C13H11ClN2O2/c14-9-2-1-3-10(6-9)16-13(18)11(7-15)12(17)8-4-5-8/h1-3,6,8,11H,4-5H2,(H,16,18)
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n/an/a 343n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054581
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-trifluoro...)
Show SMILES FC(F)(F)S(=O)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C14H11F3N2O3S/c15-14(16,17)23(22)10-5-3-9(4-6-10)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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n/an/a 417n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054552
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-methylsul...)
Show SMILES CSc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C14H14N2O2S/c1-19-11-6-4-10(5-7-11)16-14(18)12(8-15)13(17)9-2-3-9/h4-7,9,12H,2-3H2,1H3,(H,16,18)
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n/an/a 445n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054599
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(3-trifluoro...)
Show SMILES FC(F)(F)c1cccc(NC(=O)C(C#N)C(=O)C2CC2)c1
Show InChI InChI=1S/C14H11F3N2O2/c15-14(16,17)9-2-1-3-10(6-9)19-13(21)11(7-18)12(20)8-4-5-8/h1-3,6,8,11H,4-5H2,(H,19,21)
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n/an/a 479n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054596
PNG
((Z)-2-Cyano-3-hydroxy-pent-2-en-4-ynoic acid (4-tr...)
Show SMILES FC(F)(F)c1ccc(NC(=O)C(C#N)C(=O)C#C)cc1
Show InChI InChI=1S/C13H7F3N2O2/c1-2-11(19)10(7-17)12(20)18-9-5-3-8(4-6-9)13(14,15)16/h1,3-6,10H,(H,18,20)
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n/an/a 500n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054599
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(3-trifluoro...)
Show SMILES FC(F)(F)c1cccc(NC(=O)C(C#N)C(=O)C2CC2)c1
Show InChI InChI=1S/C14H11F3N2O2/c15-14(16,17)9-2-1-3-10(6-9)19-13(21)11(7-18)12(20)8-4-5-8/h1-3,6,8,11H,4-5H2,(H,19,21)
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n/an/a 525n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054554
PNG
((Z)-N-[4-(4-Chloro-benzoyl)-phenyl]-2-cyano-3-cycl...)
Show SMILES Clc1ccc(cc1)C(=O)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C20H15ClN2O3/c21-15-7-3-12(4-8-15)18(24)13-5-9-16(10-6-13)23-20(26)17(11-22)19(25)14-1-2-14/h3-10,14,17H,1-2H2,(H,23,26)
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n/an/a 562n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054554
PNG
((Z)-N-[4-(4-Chloro-benzoyl)-phenyl]-2-cyano-3-cycl...)
Show SMILES Clc1ccc(cc1)C(=O)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C20H15ClN2O3/c21-15-7-3-12(4-8-15)18(24)13-5-9-16(10-6-13)23-20(26)17(11-22)19(25)14-1-2-14/h3-10,14,17H,1-2H2,(H,23,26)
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n/an/a 590n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054589
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-phenethyl...)
Show SMILES O=C(Nc1ccc(CCc2ccccc2)cc1)C(C#N)C(=O)C1CC1
Show InChI InChI=1S/C21H20N2O2/c22-14-19(20(24)17-10-11-17)21(25)23-18-12-8-16(9-13-18)7-6-15-4-2-1-3-5-15/h1-5,8-9,12-13,17,19H,6-7,10-11H2,(H,23,25)
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n/an/a 630n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054562
PNG
((Z)-N-(6-Chloro-pyridin-3-yl)-2-cyano-3-cyclopropy...)
Show SMILES Clc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cn1
Show InChI InChI=1S/C12H10ClN3O2/c13-10-4-3-8(6-15-10)16-12(18)9(5-14)11(17)7-1-2-7/h3-4,6-7,9H,1-2H2,(H,16,18)
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n/an/a 630n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054563
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-phenoxy-p...)
Show SMILES O=C(Nc1ccc(Oc2ccccc2)cc1)C(C#N)C(=O)C1CC1
Show InChI InChI=1S/C19H16N2O3/c20-12-17(18(22)13-6-7-13)19(23)21-14-8-10-16(11-9-14)24-15-4-2-1-3-5-15/h1-5,8-11,13,17H,6-7H2,(H,21,23)
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n/an/a 630n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054605
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-thiophen-...)
Show SMILES O=C(Nc1ccc(cc1)-c1cccs1)C(C#N)C(=O)C1CC1
Show InChI InChI=1S/C17H14N2O2S/c18-10-14(16(20)12-3-4-12)17(21)19-13-7-5-11(6-8-13)15-2-1-9-22-15/h1-2,5-9,12,14H,3-4H2,(H,19,21)
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n/an/a 631n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054561
PNG
((Z)-N-[4-(4-Chloro-phenoxy)-phenyl]-2-cyano-3-cycl...)
Show SMILES Clc1ccc(Oc2ccc(NC(=O)C(C#N)C(=O)C3CC3)cc2)cc1
Show InChI InChI=1S/C19H15ClN2O3/c20-13-3-7-15(8-4-13)25-16-9-5-14(6-10-16)22-19(24)17(11-21)18(23)12-1-2-12/h3-10,12,17H,1-2H2,(H,22,24)
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n/an/a 832n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054588
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-methanesu...)
Show SMILES CS(=O)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C14H14N2O3S/c1-20(19)11-6-4-10(5-7-11)16-14(18)12(8-15)13(17)9-2-3-9/h4-7,9,12H,2-3H2,1H3,(H,16,18)
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n/an/a 832n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054545
PNG
(4-((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-acryloylami...)
Show SMILES COC(=O)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C15H14N2O4/c1-21-15(20)10-4-6-11(7-5-10)17-14(19)12(8-16)13(18)9-2-3-9/h4-7,9,12H,2-3H2,1H3,(H,17,19)
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n/an/a 1.12E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054602
PNG
((Z)-N-(4-Chloro-2-methyl-phenyl)-2-cyano-3-cyclopr...)
Show SMILES Cc1cc(Cl)ccc1NC(=O)C(C#N)C(=O)C1CC1
Show InChI InChI=1S/C14H13ClN2O2/c1-8-6-10(15)4-5-12(8)17-14(19)11(7-16)13(18)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,17,19)
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n/an/a 1.25E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054565
PNG
((2Z,4E)-2-Cyano-3-hydroxy-hexa-2,4-dienoic acid (4...)
Show SMILES CC=CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H11F3N2O2/c1-2-3-12(20)11(8-18)13(21)19-10-6-4-9(5-7-10)14(15,16)17/h2-7,11H,1H3,(H,19,21)
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n/an/a 1.41E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
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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n/an/a 1.48E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054583
PNG
(4-((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-acryloylami...)
Show SMILES OC(=O)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C14H12N2O4/c15-7-11(12(17)8-1-2-8)13(18)16-10-5-3-9(4-6-10)14(19)20/h3-6,8,11H,1-2H2,(H,16,18)(H,19,20)
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n/an/a 1.48E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054561
PNG
((Z)-N-[4-(4-Chloro-phenoxy)-phenyl]-2-cyano-3-cycl...)
Show SMILES Clc1ccc(Oc2ccc(NC(=O)C(C#N)C(=O)C3CC3)cc2)cc1
Show InChI InChI=1S/C19H15ClN2O3/c20-13-3-7-15(8-4-13)25-16-9-5-14(6-10-16)22-19(24)17(11-21)18(23)12-1-2-12/h3-10,12,17H,1-2H2,(H,22,24)
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n/an/a 1.51E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054603
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-[4-(4-triflu...)
Show SMILES FC(F)(F)c1ccc(Oc2ccc(NC(=O)C(C#N)C(=O)C3CC3)cc2)cc1
Show InChI InChI=1S/C20H15F3N2O3/c21-20(22,23)13-3-7-15(8-4-13)28-16-9-5-14(6-10-16)25-19(27)17(11-24)18(26)12-1-2-12/h3-10,12,17H,1-2H2,(H,25,27)
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n/an/a 1.51E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054569
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-phenyl-acryl...)
Show SMILES O=C(Nc1ccccc1)C(C#N)C(=O)C1CC1
Show InChI InChI=1S/C13H12N2O2/c14-8-11(12(16)9-6-7-9)13(17)15-10-4-2-1-3-5-10/h1-5,9,11H,6-7H2,(H,15,17)
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n/an/a 1.58E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
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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n/an/a 1.58E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054562
PNG
((Z)-N-(6-Chloro-pyridin-3-yl)-2-cyano-3-cyclopropy...)
Show SMILES Clc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cn1
Show InChI InChI=1S/C12H10ClN3O2/c13-10-4-3-8(6-15-10)16-12(18)9(5-14)11(17)7-1-2-7/h3-4,6-7,9H,1-2H2,(H,16,18)
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n/an/a 1.78E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054568
PNG
((Z)-2-Cyano-3-cyclopropyl-N-(4-furan-2-yl-phenyl)-...)
Show SMILES O=C(Nc1ccc(cc1)-c1ccco1)C(C#N)C(=O)C1CC1
Show InChI InChI=1S/C17H14N2O3/c18-10-14(16(20)12-3-4-12)17(21)19-13-7-5-11(6-8-13)15-2-1-9-22-15/h1-2,5-9,12,14H,3-4H2,(H,19,21)
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n/an/a 1.78E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054569
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-phenyl-acryl...)
Show SMILES O=C(Nc1ccccc1)C(C#N)C(=O)C1CC1
Show InChI InChI=1S/C13H12N2O2/c14-8-11(12(16)9-6-7-9)13(17)15-10-4-2-1-3-5-10/h1-5,9,11H,6-7H2,(H,15,17)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054596
PNG
((Z)-2-Cyano-3-hydroxy-pent-2-en-4-ynoic acid (4-tr...)
Show SMILES FC(F)(F)c1ccc(NC(=O)C(C#N)C(=O)C#C)cc1
Show InChI InChI=1S/C13H7F3N2O2/c1-2-11(19)10(7-17)12(20)18-9-5-3-8(4-6-9)13(14,15)16/h1,3-6,10H,(H,18,20)
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n/an/a 2.09E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054570
PNG
((Z)-2-Cyano-3-cyclopropyl-N-(4'-fluoro-biphenyl-4-...)
Show SMILES Fc1ccc(cc1)-c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C19H15FN2O2/c20-15-7-3-12(4-8-15)13-5-9-16(10-6-13)22-19(24)17(11-21)18(23)14-1-2-14/h3-10,14,17H,1-2H2,(H,22,24)
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n/an/a 2.14E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054598
PNG
(CHEMBL341721 | N-(4-Chloro-phenyl)-4-((Z)-2-cyano-...)
Show SMILES CN(C(=O)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H18ClN3O3/c1-25(17-10-6-15(22)7-11-17)21(28)14-4-8-16(9-5-14)24-20(27)18(12-23)19(26)13-2-3-13/h4-11,13,18H,2-3H2,1H3,(H,24,27)
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n/an/a 2.24E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054605
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-thiophen-...)
Show SMILES O=C(Nc1ccc(cc1)-c1cccs1)C(C#N)C(=O)C1CC1
Show InChI InChI=1S/C17H14N2O2S/c18-10-14(16(20)12-3-4-12)17(21)19-13-7-5-11(6-8-13)15-2-1-9-22-15/h1-2,5-9,12,14H,3-4H2,(H,19,21)
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n/an/a 2.51E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054546
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-[4-(4-triflu...)
Show SMILES FC(F)(F)c1csc(n1)-c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C17H12F3N3O2S/c18-17(19,20)13-8-26-16(23-13)10-3-5-11(6-4-10)22-15(25)12(7-21)14(24)9-1-2-9/h3-6,8-9,12H,1-2H2,(H,22,25)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054558
PNG
((Z)-N-(3-Chloro-phenyl)-2-cyano-3-cyclopropyl-3-hy...)
Show SMILES Clc1cccc(NC(=O)C(C#N)C(=O)C2CC2)c1
Show InChI InChI=1S/C13H11ClN2O2/c14-9-2-1-3-10(6-9)16-13(18)11(7-15)12(17)8-4-5-8/h1-3,6,8,11H,4-5H2,(H,16,18)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054603
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-[4-(4-triflu...)
Show SMILES FC(F)(F)c1ccc(Oc2ccc(NC(=O)C(C#N)C(=O)C3CC3)cc2)cc1
Show InChI InChI=1S/C20H15F3N2O3/c21-20(22,23)13-3-7-15(8-4-13)28-16-9-5-14(6-10-16)25-19(27)17(11-24)18(26)12-1-2-12/h3-10,12,17H,1-2H2,(H,25,27)
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n/an/a 3.55E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054586
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-methoxy-p...)
Show SMILES COc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C14H14N2O3/c1-19-11-6-4-10(5-7-11)16-14(18)12(8-15)13(17)9-2-3-9/h4-7,9,12H,2-3H2,1H3,(H,16,18)
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n/an/a 3.72E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054583
PNG
(4-((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-acryloylami...)
Show SMILES OC(=O)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C14H12N2O4/c15-7-11(12(17)8-1-2-8)13(18)16-10-5-3-9(4-6-10)14(19)20/h3-6,8,11H,1-2H2,(H,16,18)(H,19,20)
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n/an/a 3.72E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054602
PNG
((Z)-N-(4-Chloro-2-methyl-phenyl)-2-cyano-3-cyclopr...)
Show SMILES Cc1cc(Cl)ccc1NC(=O)C(C#N)C(=O)C1CC1
Show InChI InChI=1S/C14H13ClN2O2/c1-8-6-10(15)4-5-12(8)17-14(19)11(7-16)13(18)9-2-3-9/h4-6,9,11H,2-3H2,1H3,(H,17,19)
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n/an/a 3.72E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054606
PNG
((Z)-N-(4-Acetyl-phenyl)-2-cyano-3-cyclopropyl-3-hy...)
Show SMILES CC(=O)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C15H14N2O3/c1-9(18)10-4-6-12(7-5-10)17-15(20)13(8-16)14(19)11-2-3-11/h4-7,11,13H,2-3H2,1H3,(H,17,20)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054567
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-oxazol-2-...)
Show SMILES O=C(Nc1ccc(cc1)-c1ncco1)C(C#N)C(=O)C1CC1
Show InChI InChI=1S/C16H13N3O3/c17-9-13(14(20)10-1-2-10)15(21)19-12-5-3-11(4-6-12)16-18-7-8-22-16/h3-8,10,13H,1-2H2,(H,19,21)
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n/an/a 4.27E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054565
PNG
((2Z,4E)-2-Cyano-3-hydroxy-hexa-2,4-dienoic acid (4...)
Show SMILES CC=CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H11F3N2O2/c1-2-3-12(20)11(8-18)13(21)19-10-6-4-9(5-7-10)14(15,16)17/h2-7,11H,1H3,(H,19,21)
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n/an/a 4.27E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054593
PNG
((Z)-2-Cyano-3-hydroxy-3-(tetrahydro-furan-2-yl)-N-...)
Show SMILES FC(F)(F)c1ccc(NC(=O)C(C#N)C(=O)C2CCCO2)cc1
Show InChI InChI=1S/C15H13F3N2O3/c16-15(17,18)9-3-5-10(6-4-9)20-14(22)11(8-19)13(21)12-2-1-7-23-12/h3-6,11-12H,1-2,7H2,(H,20,22)
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n/an/a 4.47E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054595
PNG
((Z)-2-Cyano-N-(4-cyanomethyl-phenyl)-3-cyclopropyl...)
Show SMILES O=C(Nc1ccc(CC#N)cc1)C(C#N)C(=O)C1CC1
Show InChI InChI=1S/C15H13N3O2/c16-8-7-10-1-5-12(6-2-10)18-15(20)13(9-17)14(19)11-3-4-11/h1-2,5-6,11,13H,3-4,7H2,(H,18,20)
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n/an/a 4.57E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054571
PNG
((Z)-N-[4-(4-Chloro-phenylethynyl)-phenyl]-2-cyano-...)
Show SMILES Clc1ccc(cc1)C#Cc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C21H15ClN2O2/c22-17-9-3-14(4-10-17)1-2-15-5-11-18(12-6-15)24-21(26)19(13-23)20(25)16-7-8-16/h3-6,9-12,16,19H,7-8H2,(H,24,26)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054568
PNG
((Z)-2-Cyano-3-cyclopropyl-N-(4-furan-2-yl-phenyl)-...)
Show SMILES O=C(Nc1ccc(cc1)-c1ccco1)C(C#N)C(=O)C1CC1
Show InChI InChI=1S/C17H14N2O3/c18-10-14(16(20)12-3-4-12)17(21)19-13-7-5-11(6-8-13)15-2-1-9-22-15/h1-2,5-9,12,14H,3-4H2,(H,19,21)
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n/an/a 5.90E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054593
PNG
((Z)-2-Cyano-3-hydroxy-3-(tetrahydro-furan-2-yl)-N-...)
Show SMILES FC(F)(F)c1ccc(NC(=O)C(C#N)C(=O)C2CCCO2)cc1
Show InChI InChI=1S/C15H13F3N2O3/c16-15(17,18)9-3-5-10(6-4-9)20-14(22)11(8-19)13(21)12-2-1-7-23-12/h3-6,11-12H,1-2,7H2,(H,20,22)
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n/an/a 7.94E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054582
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-hydroxy-p...)
Show SMILES Oc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C13H12N2O3/c14-7-11(12(17)8-1-2-8)13(18)15-9-3-5-10(16)6-4-9/h3-6,8,11,16H,1-2H2,(H,15,18)
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n/an/a 7.94E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054570
PNG
((Z)-2-Cyano-3-cyclopropyl-N-(4'-fluoro-biphenyl-4-...)
Show SMILES Fc1ccc(cc1)-c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C19H15FN2O2/c20-15-7-3-12(4-8-15)13-5-9-16(10-6-13)22-19(24)17(11-21)18(23)14-1-2-14/h3-10,14,17H,1-2H2,(H,22,24)
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n/an/a 8.51E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054575
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-pyridin-4-yl...)
Show SMILES O=C(Nc1ccncc1)C(C#N)C(=O)C1CC1
Show InChI InChI=1S/C12H11N3O2/c13-7-10(11(16)8-1-2-8)12(17)15-9-3-5-14-6-4-9/h3-6,8,10H,1-2H2,(H,14,15,17)
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n/an/a 8.91E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054576
PNG
((Z)-N-{4-[(E)-2-(4-Chloro-phenyl)-vinyl]-phenyl}-2...)
Show SMILES Clc1ccc(\C=C\c2ccc(NC(=O)C(C#N)C(=O)C3CC3)cc2)cc1
Show InChI InChI=1S/C21H17ClN2O2/c22-17-9-3-14(4-10-17)1-2-15-5-11-18(12-6-15)24-21(26)19(13-23)20(25)16-7-8-16/h1-6,9-12,16,19H,7-8H2,(H,24,26)/b2-1+
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n/an/a 1.17E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054575
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-pyridin-4-yl...)
Show SMILES O=C(Nc1ccncc1)C(C#N)C(=O)C1CC1
Show InChI InChI=1S/C12H11N3O2/c13-7-10(11(16)8-1-2-8)12(17)15-9-3-5-14-6-4-9/h3-6,8,10H,1-2H2,(H,14,15,17)
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n/an/a 1.17E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054551
PNG
((Z)-2-Cyano-3-hydroxy-3-(tetrahydro-furan-3-yl)-N-...)
Show SMILES FC(F)(F)c1ccc(NC(=O)C(C#N)C(=O)C2CCOC2)cc1
Show InChI InChI=1S/C15H13F3N2O3/c16-15(17,18)10-1-3-11(4-2-10)20-14(22)12(7-19)13(21)9-5-6-23-8-9/h1-4,9,12H,5-6,8H2,(H,20,22)
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n/an/a 1.17E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054551
PNG
((Z)-2-Cyano-3-hydroxy-3-(tetrahydro-furan-3-yl)-N-...)
Show SMILES FC(F)(F)c1ccc(NC(=O)C(C#N)C(=O)C2CCOC2)cc1
Show InChI InChI=1S/C15H13F3N2O3/c16-15(17,18)10-1-3-11(4-2-10)20-14(22)12(7-19)13(21)9-5-6-23-8-9/h1-4,9,12H,5-6,8H2,(H,20,22)
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n/an/a 1.18E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054576
PNG
((Z)-N-{4-[(E)-2-(4-Chloro-phenyl)-vinyl]-phenyl}-2...)
Show SMILES Clc1ccc(\C=C\c2ccc(NC(=O)C(C#N)C(=O)C3CC3)cc2)cc1
Show InChI InChI=1S/C21H17ClN2O2/c22-17-9-3-14(4-10-17)1-2-15-5-11-18(12-6-15)24-21(26)19(13-23)20(25)16-7-8-16/h1-6,9-12,16,19H,7-8H2,(H,24,26)/b2-1+
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n/an/a 1.26E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054559
PNG
((Z)-N-(2-Chloro-phenyl)-2-cyano-3-cyclopropyl-3-hy...)
Show SMILES Clc1ccccc1NC(=O)C(C#N)C(=O)C1CC1
Show InChI InChI=1S/C13H11ClN2O2/c14-10-3-1-2-4-11(10)16-13(18)9(7-15)12(17)8-5-6-8/h1-4,8-9H,5-6H2,(H,16,18)
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n/an/a 1.33E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054604
PNG
(4-((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-acryloylami...)
Show SMILES NC(=O)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C14H13N3O3/c15-7-11(12(18)8-1-2-8)14(20)17-10-5-3-9(4-6-10)13(16)19/h3-6,8,11H,1-2H2,(H2,16,19)(H,17,20)
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n/an/a 1.41E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054579
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-methanesu...)
Show SMILES CS(=O)(=O)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C14H14N2O4S/c1-21(19,20)11-6-4-10(5-7-11)16-14(18)12(8-15)13(17)9-2-3-9/h4-7,9,12H,2-3H2,1H3,(H,16,18)
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n/an/a 1.51E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054559
PNG
((Z)-N-(2-Chloro-phenyl)-2-cyano-3-cyclopropyl-3-hy...)
Show SMILES Clc1ccccc1NC(=O)C(C#N)C(=O)C1CC1
Show InChI InChI=1S/C13H11ClN2O2/c14-10-3-1-2-4-11(10)16-13(18)9(7-15)12(17)8-5-6-8/h1-4,8-9H,5-6H2,(H,16,18)
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n/an/a 1.66E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054571
PNG
((Z)-N-[4-(4-Chloro-phenylethynyl)-phenyl]-2-cyano-...)
Show SMILES Clc1ccc(cc1)C#Cc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C21H15ClN2O2/c22-17-9-3-14(4-10-17)1-2-15-5-11-18(12-6-15)24-21(26)19(13-23)20(25)16-7-8-16/h3-6,9-12,16,19H,7-8H2,(H,24,26)
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n/an/a 1.78E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054598
PNG
(CHEMBL341721 | N-(4-Chloro-phenyl)-4-((Z)-2-cyano-...)
Show SMILES CN(C(=O)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H18ClN3O3/c1-25(17-10-6-15(22)7-11-17)21(28)14-4-8-16(9-5-14)24-20(27)18(12-23)19(26)13-2-3-13/h4-11,13,18H,2-3H2,1H3,(H,24,27)
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n/an/a 1.91E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054567
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-oxazol-2-...)
Show SMILES O=C(Nc1ccc(cc1)-c1ncco1)C(C#N)C(=O)C1CC1
Show InChI InChI=1S/C16H13N3O3/c17-9-13(14(20)10-1-2-10)15(21)19-12-5-3-11(4-6-12)16-18-7-8-22-16/h3-8,10,13H,1-2H2,(H,19,21)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054592
PNG
((Z)-N-(4-Amino-phenyl)-2-cyano-3-cyclopropyl-3-hyd...)
Show SMILES Nc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C13H13N3O2/c14-7-11(12(17)8-1-2-8)13(18)16-10-5-3-9(15)4-6-10/h3-6,8,11H,1-2,15H2,(H,16,18)
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n/an/a 2.19E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054588
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-methanesu...)
Show SMILES CS(=O)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C14H14N2O3S/c1-20(19)11-6-4-10(5-7-11)16-14(18)12(8-15)13(17)9-2-3-9/h4-7,9,12H,2-3H2,1H3,(H,16,18)
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n/an/a 2.24E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054580
PNG
((Z)-2-Cyano-3-cyclopentyl-3-hydroxy-N-(4-trifluoro...)
Show SMILES FC(F)(F)c1ccc(NC(=O)C(C#N)C(=O)C2CCCC2)cc1
Show InChI InChI=1S/C16H15F3N2O2/c17-16(18,19)11-5-7-12(8-6-11)21-15(23)13(9-20)14(22)10-3-1-2-4-10/h5-8,10,13H,1-4H2,(H,21,23)
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n/an/a 2.82E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054580
PNG
((Z)-2-Cyano-3-cyclopentyl-3-hydroxy-N-(4-trifluoro...)
Show SMILES FC(F)(F)c1ccc(NC(=O)C(C#N)C(=O)C2CCCC2)cc1
Show InChI InChI=1S/C16H15F3N2O2/c17-16(18,19)11-5-7-12(8-6-11)21-15(23)13(9-20)14(22)10-3-1-2-4-10/h5-8,10,13H,1-4H2,(H,21,23)
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n/an/a 3.16E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054592
PNG
((Z)-N-(4-Amino-phenyl)-2-cyano-3-cyclopropyl-3-hyd...)
Show SMILES Nc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C13H13N3O2/c14-7-11(12(17)8-1-2-8)13(18)16-10-5-3-9(15)4-6-10/h3-6,8,11H,1-2,15H2,(H,16,18)
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n/an/a 3.16E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054595
PNG
((Z)-2-Cyano-N-(4-cyanomethyl-phenyl)-3-cyclopropyl...)
Show SMILES O=C(Nc1ccc(CC#N)cc1)C(C#N)C(=O)C1CC1
Show InChI InChI=1S/C15H13N3O2/c16-8-7-10-1-5-12(6-2-10)18-15(20)13(9-17)14(19)11-3-4-11/h1-2,5-6,11,13H,3-4,7H2,(H,18,20)
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n/an/a 3.72E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054546
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-[4-(4-triflu...)
Show SMILES FC(F)(F)c1csc(n1)-c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C17H12F3N3O2S/c18-17(19,20)13-8-26-16(23-13)10-3-5-11(6-4-10)22-15(25)12(7-21)14(24)9-1-2-9/h3-6,8-9,12H,1-2H2,(H,22,25)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054542
PNG
((Z)-2-Cyano-3-hydroxy-3,N-bis-(4-trifluoromethyl-p...)
Show SMILES FC(F)(F)c1ccc(NC(=O)C(C#N)C(=O)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C18H10F6N2O2/c19-17(20,21)11-3-1-10(2-4-11)15(27)14(9-25)16(28)26-13-7-5-12(6-8-13)18(22,23)24/h1-8,14H,(H,26,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054544
PNG
((Z)-2-Cyano-3-hydroxy-3-pyrrolidin-2-yl-N-(4-trifl...)
Show SMILES FC(F)(F)c1ccc(NC(=O)C(C#N)C(=O)C2CCCN2)cc1
Show InChI InChI=1S/C15H14F3N3O2/c16-15(17,18)9-3-5-10(6-4-9)21-14(23)11(8-19)13(22)12-2-1-7-20-12/h3-6,11-12,20H,1-2,7H2,(H,21,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054577
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(2-trifluoro...)
Show SMILES FC(F)(F)c1ccccc1NC(=O)C(C#N)C(=O)C1CC1
Show InChI InChI=1S/C14H11F3N2O2/c15-14(16,17)10-3-1-2-4-11(10)19-13(21)9(7-18)12(20)8-5-6-8/h1-4,8-9H,5-6H2,(H,19,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054566
PNG
((Z)-2-Cyano-3-hydroxy-3-(1-methyl-pyrrolidin-2-yl)...)
Show SMILES CN1CCCC1C(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H16F3N3O2/c1-22-8-2-3-13(22)14(23)12(9-20)15(24)21-11-6-4-10(5-7-11)16(17,18)19/h4-7,12-13H,2-3,8H2,1H3,(H,21,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054582
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-hydroxy-p...)
Show SMILES Oc1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C13H12N2O3/c14-7-11(12(17)8-1-2-8)13(18)15-9-3-5-10(16)6-4-9/h3-6,8,11,16H,1-2H2,(H,15,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054542
PNG
((Z)-2-Cyano-3-hydroxy-3,N-bis-(4-trifluoromethyl-p...)
Show SMILES FC(F)(F)c1ccc(NC(=O)C(C#N)C(=O)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C18H10F6N2O2/c19-17(20,21)11-3-1-10(2-4-11)15(27)14(9-25)16(28)26-13-7-5-12(6-8-13)18(22,23)24/h1-8,14H,(H,26,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054544
PNG
((Z)-2-Cyano-3-hydroxy-3-pyrrolidin-2-yl-N-(4-trifl...)
Show SMILES FC(F)(F)c1ccc(NC(=O)C(C#N)C(=O)C2CCCN2)cc1
Show InChI InChI=1S/C15H14F3N3O2/c16-15(17,18)9-3-5-10(6-4-9)21-14(23)11(8-19)13(22)12-2-1-7-20-12/h3-6,11-12,20H,1-2,7H2,(H,21,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054566
PNG
((Z)-2-Cyano-3-hydroxy-3-(1-methyl-pyrrolidin-2-yl)...)
Show SMILES CN1CCCC1C(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H16F3N3O2/c1-22-8-2-3-13(22)14(23)12(9-20)15(24)21-11-6-4-10(5-7-11)16(17,18)19/h4-7,12-13H,2-3,8H2,1H3,(H,21,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Rattus norvegicus (rat))
BDBM50054577
PNG
((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(2-trifluoro...)
Show SMILES FC(F)(F)c1ccccc1NC(=O)C(C#N)C(=O)C1CC1
Show InChI InChI=1S/C14H11F3N2O2/c15-14(16,17)10-3-1-2-4-11(10)19-13(21)9(7-18)12(20)8-5-6-8/h1-4,8-9H,5-6H2,(H,19,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Mus musculus)
BDBM50054604
PNG
(4-((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-acryloylami...)
Show SMILES NC(=O)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
Show InChI InChI=1S/C14H13N3O3/c15-7-11(12(18)8-1-2-8)14(20)17-10-5-3-9(4-6-10)13(16)19/h3-6,8,11H,1-2H2,(H2,16,19)(H,17,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse


J Med Chem 39: 4608-21 (1996)


Article DOI: 10.1021/jm9604437
BindingDB Entry DOI: 10.7270/Q20G3KSX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%