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PubMed code 9719606

Compile data set for download or QSAR
Found 38 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50066577
PNG
(5-Methyl-3-(4-trifluoromethoxy-phenylamino)-1H-pyr...)
Show SMILES Cc1n[nH]c(Nc2ccc(OC(F)(F)F)cc2)c1C#N
Show InChI InChI=1S/C12H9F3N4O/c1-7-10(6-16)11(19-18-7)17-8-2-4-9(5-3-8)20-12(13,14)15/h2-5H,1H3,(H2,17,18,19)
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n/an/a 500n/an/an/an/an/an/a



NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50066601
PNG
(5-Methyl-3-(4-trifluoromethyl-phenylamino)-1H-pyra...)
Show SMILES Cc1n[nH]c(Nc2ccc(cc2)C(F)(F)F)c1C#N
Show InChI InChI=1S/C12H9F3N4/c1-7-10(6-16)11(19-18-7)17-9-4-2-8(3-5-9)12(13,14)15/h2-5H,1H3,(H2,17,18,19)
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n/an/a 2.60E+3n/an/an/an/an/an/a



NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50066591
PNG
(CHEMBL118894 | [5-Methyl-3-(4-trifluoromethyl-phen...)
Show SMILES Cc1n[nH]c(Nc2ccc(cc2)C(F)(F)F)c1CO
Show InChI InChI=1S/C12H12F3N3O/c1-7-10(6-19)11(18-17-7)16-9-4-2-8(3-5-9)12(13,14)15/h2-5,19H,6H2,1H3,(H2,16,17,18)
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n/an/a 2.70E+3n/an/an/an/an/an/a



NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50066588
PNG
(3-(4-Cyano-phenylamino)-5-methyl-1H-pyrazole-4-car...)
Show SMILES Cc1n[nH]c(Nc2ccc(cc2)C#N)c1C#N
Show InChI InChI=1S/C12H9N5/c1-8-11(7-14)12(17-16-8)15-10-4-2-9(6-13)3-5-10/h2-5H,1H3,(H2,15,16,17)
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n/an/a 3.20E+3n/an/an/an/an/an/a



NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50066590
PNG
(3-(4-tert-Butyl-phenylamino)-5-methyl-1H-pyrazole-...)
Show SMILES Cc1n[nH]c(Nc2ccc(cc2)C(C)(C)C)c1C#N
Show InChI InChI=1S/C15H18N4/c1-10-13(9-16)14(19-18-10)17-12-7-5-11(6-8-12)15(2,3)4/h5-8H,1-4H3,(H2,17,18,19)
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n/an/a 3.60E+3n/an/an/an/an/an/a



NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50066576
PNG
(5-Isopropyl-3-(4-trifluoromethyl-phenylamino)-1H-p...)
Show SMILES CC(C)c1n[nH]c(Nc2ccc(cc2)C(F)(F)F)c1C#N
Show InChI InChI=1S/C14H13F3N4/c1-8(2)12-11(7-18)13(21-20-12)19-10-5-3-9(4-6-10)14(15,16)17/h3-6,8H,1-2H3,(H2,19,20,21)
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n/an/a 4.00E+3n/an/an/an/an/an/a



NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50066594
PNG
((4,5,6,7-Tetrahydro-1H-indazol-3-yl)-(4-trifluorom...)
Show SMILES FC(F)(F)c1ccc(Nc2[nH]nc3CCCCc23)cc1
Show InChI InChI=1S/C14H14F3N3/c15-14(16,17)9-5-7-10(8-6-9)18-13-11-3-1-2-4-12(11)19-20-13/h5-8H,1-4H2,(H2,18,19,20)
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n/an/a 6.20E+3n/an/an/an/an/an/a



NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50066580
PNG
(3-(4-Trifluoromethyl-phenylamino)-1,5,6,7-tetrahyd...)
Show SMILES FC(F)(F)c1ccc(Nc2[nH]nc3CCCC(=O)c23)cc1
Show InChI InChI=1S/C14H12F3N3O/c15-14(16,17)8-4-6-9(7-5-8)18-13-12-10(19-20-13)2-1-3-11(12)21/h4-7H,1-3H2,(H2,18,19,20)
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n/an/a 6.50E+3n/an/an/an/an/an/a



NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50066585
PNG
(5-Methyl-3-(4-nitro-phenylamino)-1H-pyrazole-4-car...)
Show SMILES Cc1n[nH]c(Nc2ccc(cc2)[N+]([O-])=O)c1C#N
Show InChI InChI=1S/C11H9N5O2/c1-7-10(6-12)11(15-14-7)13-8-2-4-9(5-3-8)16(17)18/h2-5H,1H3,(H2,13,14,15)
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n/an/a 9.00E+3n/an/an/an/an/an/a



NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50066609
PNG
(5-Methyl-3-p-tolylamino-1H-pyrazole-4-carbonitrile...)
Show SMILES Cc1n[nH]c(Nc2ccc(C)cc2)c1C#N
Show InChI InChI=1S/C12H12N4/c1-8-3-5-10(6-4-8)14-12-11(7-13)9(2)15-16-12/h3-6H,1-2H3,(H2,14,15,16)
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n/an/a 1.21E+4n/an/an/an/an/an/a



NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
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 1.30E+4n/an/an/an/an/an/a



NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50066598
PNG
((5-Methyl-1H-pyrazol-3-yl)-(4-trifluoromethyl-phen...)
Show SMILES Cc1cc(Nc2ccc(cc2)C(F)(F)F)[nH]n1
Show InChI InChI=1S/C11H10F3N3/c1-7-6-10(17-16-7)15-9-4-2-8(3-5-9)11(12,13)14/h2-6H,1H3,(H2,15,16,17)
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n/an/a 1.65E+4n/an/an/an/an/an/a



NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50066603
PNG
(3-(4-Fluoro-phenylamino)-5-methyl-1H-pyrazole-4-ca...)
Show SMILES Cc1n[nH]c(Nc2ccc(F)cc2)c1C#N
Show InChI InChI=1S/C11H9FN4/c1-7-10(6-13)11(16-15-7)14-9-4-2-8(12)3-5-9/h2-5H,1H3,(H2,14,15,16)
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n/an/a 1.94E+4n/an/an/an/an/an/a



NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50066586
PNG
(5-Methyl-3-(2,4,6-trifluoro-phenylamino)-1H-pyrazo...)
Show SMILES Cc1n[nH]c(Nc2c(F)cc(F)cc2F)c1C#N
Show InChI InChI=1S/C11H7F3N4/c1-5-7(4-15)11(18-17-5)16-10-8(13)2-6(12)3-9(10)14/h2-3H,1H3,(H2,16,17,18)
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n/an/a 2.24E+4n/an/an/an/an/an/a



NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50066599
PNG
((4,5-Dimethyl-1H-pyrazol-3-yl)-(4-trifluoromethyl-...)
Show SMILES Cc1n[nH]c(Nc2ccc(cc2)C(F)(F)F)c1C
Show InChI InChI=1S/C12H12F3N3/c1-7-8(2)17-18-11(7)16-10-5-3-9(4-6-10)12(13,14)15/h3-6H,1-2H3,(H2,16,17,18)
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n/an/a 2.25E+4n/an/an/an/an/an/a



NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50066587
PNG
((5-Methyl-4-phenyl-1H-pyrazol-3-yl)-(4-trifluorome...)
Show SMILES Cc1n[nH]c(Nc2ccc(cc2)C(F)(F)F)c1-c1ccccc1
Show InChI InChI=1S/C17H14F3N3/c1-11-15(12-5-3-2-4-6-12)16(23-22-11)21-14-9-7-13(8-10-14)17(18,19)20/h2-10H,1H3,(H2,21,22,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50066592
PNG
(5-Pyridin-3-yl-3-(4-trifluoromethyl-phenylamino)-1...)
Show SMILES FC(F)(F)c1ccc(Nc2[nH]nc(c2C#N)-c2cccnc2)cc1
Show InChI InChI=1S/C16H10F3N5/c17-16(18,19)11-3-5-12(6-4-11)22-15-13(8-20)14(23-24-15)10-2-1-7-21-9-10/h1-7,9H,(H2,22,23,24)
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NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50066600
PNG
(5-Methyl-3-(3-trifluoromethyl-phenylamino)-1H-pyra...)
Show SMILES Cc1n[nH]c(Nc2cccc(c2)C(F)(F)F)c1C#N
Show InChI InChI=1S/C12H9F3N4/c1-7-10(6-16)11(19-18-7)17-9-4-2-3-8(5-9)12(13,14)15/h2-5H,1H3,(H2,17,18,19)
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n/an/a>5.00E+4n/an/an/an/an/an/a



NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50066582
PNG
(5-Cyclopentyl-3-(4-trifluoromethyl-phenylamino)-1H...)
Show SMILES FC(F)(F)c1ccc(Nc2[nH]nc(C3CCCC3)c2C#N)cc1
Show InChI InChI=1S/C16H15F3N4/c17-16(18,19)11-5-7-12(8-6-11)21-15-13(9-20)14(22-23-15)10-3-1-2-4-10/h5-8,10H,1-4H2,(H2,21,22,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50066579
PNG
(5-Methyl-3-[methyl-(4-trifluoromethyl-phenyl)-amin...)
Show SMILES CN(c1[nH]nc(C)c1C#N)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C13H11F3N4/c1-8-11(7-17)12(19-18-8)20(2)10-5-3-9(4-6-10)13(14,15)16/h3-6H,1-2H3,(H,18,19)
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n/an/a>5.00E+4n/an/an/an/an/an/a



NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50066607
PNG
(5-Phenyl-3-(4-trifluoromethyl-phenylamino)-1H-pyra...)
Show SMILES FC(F)(F)c1ccc(Nc2[nH]nc(c2C#N)-c2ccccc2)cc1
Show InChI InChI=1S/C17H11F3N4/c18-17(19,20)12-6-8-13(9-7-12)22-16-14(10-21)15(23-24-16)11-4-2-1-3-5-11/h1-9H,(H2,22,23,24)
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NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50066608
PNG
(5-Ethylamino-3-(4-trifluoromethyl-phenylamino)-1H-...)
Show SMILES CCNc1n[nH]c(Nc2ccc(cc2)C(F)(F)F)c1C#N
Show InChI InChI=1S/C13H12F3N5/c1-2-18-11-10(7-17)12(21-20-11)19-9-5-3-8(4-6-9)13(14,15)16/h3-6H,2H2,1H3,(H3,18,19,20,21)
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NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50066604
PNG
(5-Methyl-3-(4-trifluoromethyl-phenylamino)-1H-pyra...)
Show SMILES CCOC(=O)c1c(C)n[nH]c1Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H14F3N3O2/c1-3-22-13(21)11-8(2)19-20-12(11)18-10-6-4-9(5-7-10)14(15,16)17/h4-7H,3H2,1-2H3,(H2,18,19,20)
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n/an/a>5.00E+4n/an/an/an/an/an/a



NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50022815
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50066611
PNG
(3-(3-Bromo-4-trifluoromethyl-phenylamino)-5-methyl...)
Show SMILES Cc1n[nH]c(Nc2ccc(c(Br)c2)C(F)(F)F)c1C#N
Show InChI InChI=1S/C12H8BrF3N4/c1-6-8(5-17)11(20-19-6)18-7-2-3-9(10(13)4-7)12(14,15)16/h2-4H,1H3,(H2,18,19,20)
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n/an/a>5.00E+4n/an/an/an/an/an/a



NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50066597
PNG
(5-Methyl-3-phenylamino-1H-pyrazole-4-carbonitrile ...)
Show SMILES Cc1n[nH]c(Nc2ccccc2)c1C#N
Show InChI InChI=1S/C11H10N4/c1-8-10(7-12)11(15-14-8)13-9-5-3-2-4-6-9/h2-6H,1H3,(H2,13,14,15)
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n/an/a>5.00E+4n/an/an/an/an/an/a



NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50066595
PNG
(1,3-Dimethyl-5-(4-trifluoromethyl-phenylamino)-1H-...)
Show SMILES Cc1nn(C)c(Nc2ccc(cc2)C(F)(F)F)c1C#N
Show InChI InChI=1S/C13H11F3N4/c1-8-11(7-17)12(20(2)19-8)18-10-5-3-9(4-6-10)13(14,15)16/h3-6,18H,1-2H3
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NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50066584
PNG
(3-(4-Amino-phenylamino)-5-methyl-1H-pyrazole-4-car...)
Show SMILES Cc1n[nH]c(Nc2ccc(N)cc2)c1C#N
Show InChI InChI=1S/C11H11N5/c1-7-10(6-12)11(16-15-7)14-9-4-2-8(13)3-5-9/h2-5H,13H2,1H3,(H2,14,15,16)
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NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50066605
PNG
(5-Thiophen-2-yl-3-(4-trifluoromethyl-phenylamino)-...)
Show SMILES FC(F)(F)c1ccc(Nc2[nH]nc(-c3cccs3)c2C#N)cc1
Show InChI InChI=1S/C15H9F3N4S/c16-15(17,18)9-3-5-10(6-4-9)20-14-11(8-19)13(21-22-14)12-2-1-7-23-12/h1-7H,(H2,20,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50066593
PNG
(5-Methyl-3-(2-trifluoromethyl-phenylamino)-1H-pyra...)
Show SMILES Cc1n[nH]c(Nc2ccccc2C(F)(F)F)c1C#N
Show InChI InChI=1S/C12H9F3N4/c1-7-8(6-16)11(19-18-7)17-10-5-3-2-4-9(10)12(13,14)15/h2-5H,1H3,(H2,17,18,19)
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NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50066602
PNG
(5-Amino-3-(4-trifluoromethyl-phenylamino)-1H-pyraz...)
Show SMILES Nc1n[nH]c(Nc2ccc(cc2)C(F)(F)F)c1C#N
Show InChI InChI=1S/C11H8F3N5/c12-11(13,14)6-1-3-7(4-2-6)17-10-8(5-15)9(16)18-19-10/h1-4H,(H4,16,17,18,19)
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NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50066589
PNG
(5-Hydroxy-3-(4-trifluoromethyl-phenylamino)-1H-pyr...)
Show SMILES FC(F)(F)c1ccc(Nc2[nH][nH]c(=O)c2C#N)cc1
Show InChI InChI=1S/C11H7F3N4O/c12-11(13,14)6-1-3-7(4-2-6)16-9-8(5-15)10(19)18-17-9/h1-4H,(H3,16,17,18,19)
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n/an/a>5.00E+4n/an/an/an/an/an/a



NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50066596
PNG
(5-tert-Butyl-3-(4-trifluoromethyl-phenylamino)-1H-...)
Show SMILES CC(C)(C)c1n[nH]c(Nc2ccc(cc2)C(F)(F)F)c1C#N
Show InChI InChI=1S/C15H15F3N4/c1-14(2,3)12-11(8-19)13(22-21-12)20-10-6-4-9(5-7-10)15(16,17)18/h4-7H,1-3H3,(H2,20,21,22)
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NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50066583
PNG
(CHEMBL432427 | [4-(1-Hydrazono-ethyl)-5-methyl-1H-...)
Show SMILES CC(N=N)c1c(C)n[nH]c1Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C13H14F3N5/c1-7(19-17)11-8(2)20-21-12(11)18-10-5-3-9(4-6-10)13(14,15)16/h3-7,17H,1-2H3,(H2,18,20,21)
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n/an/a>5.00E+4n/an/an/an/an/an/a



NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50066578
PNG
(5-Pyridin-4-yl-3-(4-trifluoromethyl-phenylamino)-1...)
Show SMILES FC(F)(F)c1ccc(Nc2[nH]nc(c2C#N)-c2ccncc2)cc1
Show InChI InChI=1S/C16H10F3N5/c17-16(18,19)11-1-3-12(4-2-11)22-15-13(9-20)14(23-24-15)10-5-7-21-8-6-10/h1-8H,(H2,22,23,24)
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NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50066606
PNG
(3-(3,5-Bis-trifluoromethyl-phenylamino)-5-methyl-1...)
Show SMILES Cc1n[nH]c(Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1C#N
Show InChI InChI=1S/C13H8F6N4/c1-6-10(5-20)11(23-22-6)21-9-3-7(12(14,15)16)2-8(4-9)13(17,18)19/h2-4H,1H3,(H2,21,22,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50066581
PNG
(5-Methyl-3-(4-trifluoromethyl-benzylamino)-1H-pyra...)
Show SMILES Cc1n[nH]c(NCc2ccc(cc2)C(F)(F)F)c1C#N
Show InChI InChI=1S/C13H11F3N4/c1-8-11(6-17)12(20-19-8)18-7-9-2-4-10(5-3-9)13(14,15)16/h2-5H,7H2,1H3,(H2,18,19,20)
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NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50066610
PNG
(5-Furan-2-yl-3-(4-trifluoromethyl-phenylamino)-1H-...)
Show SMILES FC(F)(F)c1ccc(Nc2[nH]nc(-c3ccco3)c2C#N)cc1
Show InChI InChI=1S/C15H9F3N4O/c16-15(17,18)9-3-5-10(6-4-9)20-14-11(8-19)13(21-22-14)12-2-1-7-23-12/h1-7H,(H2,20,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



NOVARTIS Pharma AG

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)


J Med Chem 41: 3530-8 (1998)


Article DOI: 10.1021/jm981028c
BindingDB Entry DOI: 10.7270/Q2668DW6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%