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Compile Data Set for Download or QSAR

Found 99 hits Enz. Inhib. hit(s) with all data for entry = 3160   
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 (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM24400
PNG
(5-methyl-N-(naphthalen-2-yl)-[1,2,4]triazolo[1,5-a...)
Show SMILES Cc1cc(Nc2ccc3ccccc3c2)n2ncnc2n1
Show InChI InChI=1S/C16H13N5/c1-11-8-15(21-16(19-11)17-10-18-21)20-14-7-6-12-4-2-3-5-13(12)9-14/h2-10,20H,1H3
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Article
PubMed
n/an/a 47n/an/an/an/a8.020



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM24413
PNG
(JMC521864 Compund DSM2 | N-(anthracen-2-yl)-5-meth...)
Show SMILES Cc1cc(Nc2ccc3cc4ccccc4cc3c2)n2ncnc2n1
Show InChI InChI=1S/C20H15N5/c1-13-8-19(25-20(23-13)21-12-22-25)24-18-7-6-16-9-14-4-2-3-5-15(14)10-17(16)11-18/h2-12,24H,1H3
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Article
PubMed
n/an/a 56n/an/an/an/a8.020



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM28843
PNG
(N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1...)
Show SMILES Cc1cc(Nc2ccc(c(F)c2)C(F)(F)F)n2ncnc2n1
Show InChI InChI=1S/C13H9F4N5/c1-7-4-11(22-12(20-7)18-6-19-22)21-8-2-3-9(10(14)5-8)13(15,16)17/h2-6,21H,1H3
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PubMed
n/an/a 77n/an/an/an/an/an/a



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial [100-517]


(Plasmodium berghei)
BDBM24400
PNG
(5-methyl-N-(naphthalen-2-yl)-[1,2,4]triazolo[1,5-a...)
Show SMILES Cc1cc(Nc2ccc3ccccc3c2)n2ncnc2n1
Show InChI InChI=1S/C16H13N5/c1-11-8-15(21-16(19-11)17-10-18-21)20-14-7-6-12-4-2-3-5-13(12)9-14/h2-10,20H,1H3
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PubMed
n/an/a 230n/an/an/an/an/an/a



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial [100-517]


(Plasmodium berghei)
BDBM28843
PNG
(N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1...)
Show SMILES Cc1cc(Nc2ccc(c(F)c2)C(F)(F)F)n2ncnc2n1
Show InChI InChI=1S/C13H9F4N5/c1-7-4-11(22-12(20-7)18-6-19-22)21-8-2-3-9(10(14)5-8)13(15,16)17/h2-6,21H,1H3
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PubMed
n/an/a 260n/an/an/an/an/an/a



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM28817
PNG
(5-methyl-N-[4-(trifluoromethyl)phenyl]-[1,2,4]tria...)
Show SMILES Cc1cc(Nc2ccc(cc2)C(F)(F)F)n2ncnc2n1
Show InChI InChI=1S/C13H10F3N5/c1-8-6-11(21-12(19-8)17-7-18-21)20-10-4-2-9(3-5-10)13(14,15)16/h2-7,20H,1H3
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PubMed
n/an/a 280n/an/an/an/a8.020



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM28840
PNG
(N-(3,4-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,...)
Show SMILES Cc1cc(Nc2ccc(C)c(C)c2)n2ncnc2n1
Show InChI InChI=1S/C14H15N5/c1-9-4-5-12(6-10(9)2)18-13-7-11(3)17-14-15-8-16-19(13)14/h4-8,18H,1-3H3
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PubMed
n/an/a 350n/an/an/an/an/an/a



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial [100-517]


(Plasmodium berghei)
BDBM28817
PNG
(5-methyl-N-[4-(trifluoromethyl)phenyl]-[1,2,4]tria...)
Show SMILES Cc1cc(Nc2ccc(cc2)C(F)(F)F)n2ncnc2n1
Show InChI InChI=1S/C13H10F3N5/c1-8-6-11(21-12(19-8)17-7-18-21)20-10-4-2-9(3-5-10)13(14,15)16/h2-7,20H,1H3
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PubMed
n/an/a 380n/an/an/an/an/an/a



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM28838
PNG
(N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methyl-[1,...)
Show SMILES Cc1cc(Nc2ccc(Br)c(c2)C(F)(F)F)n2ncnc2n1
Show InChI InChI=1S/C13H9BrF3N5/c1-7-4-11(22-12(20-7)18-6-19-22)21-8-2-3-10(14)9(5-8)13(15,16)17/h2-6,21H,1H3
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PubMed
n/an/a 450n/an/an/an/an/an/a



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM28815
PNG
(N-(4-bromophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]p...)
Show SMILES Cc1cc(Nc2ccc(Br)cc2)n2ncnc2n1
Show InChI InChI=1S/C12H10BrN5/c1-8-6-11(18-12(16-8)14-7-15-18)17-10-4-2-9(13)3-5-10/h2-7,17H,1H3
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PubMed
n/an/a 780n/an/an/an/a8.020



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM28837
PNG
(N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-[1...)
Show SMILES Cc1cc(Nc2ccc(Cl)c(c2)C(F)(F)F)n2ncnc2n1
Show InChI InChI=1S/C13H9ClF3N5/c1-7-4-11(22-12(20-7)18-6-19-22)21-8-2-3-10(14)9(5-8)13(15,16)17/h2-6,21H,1H3
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PubMed
n/an/a 800n/an/an/an/an/an/a



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM28842
PNG
(N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazo...)
Show SMILES Cc1cc(Nc2ccc(C)c(F)c2)n2ncnc2n1
Show InChI InChI=1S/C13H12FN5/c1-8-3-4-10(6-11(8)14)18-12-5-9(2)17-13-15-7-16-19(12)13/h3-7,18H,1-2H3
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PubMed
n/an/a 860n/an/an/an/an/an/a



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM28819
PNG
(5-methyl-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]tri...)
Show SMILES Cc1cc(Nc2ccc(OC(F)(F)F)cc2)n2ncnc2n1
Show InChI InChI=1S/C13H10F3N5O/c1-8-6-11(21-12(19-8)17-7-18-21)20-9-2-4-10(5-3-9)22-13(14,15)16/h2-7,20H,1H3
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PubMed
n/an/a 1.20E+3n/an/an/an/a8.020



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial [100-517]


(Plasmodium berghei)
BDBM28815
PNG
(N-(4-bromophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]p...)
Show SMILES Cc1cc(Nc2ccc(Br)cc2)n2ncnc2n1
Show InChI InChI=1S/C12H10BrN5/c1-8-6-11(18-12(16-8)14-7-15-18)17-10-4-2-9(13)3-5-10/h2-7,17H,1H3
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PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM28810
PNG
(N-(3-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]...)
Show SMILES Cc1cc(Nc2cccc(Cl)c2)n2ncnc2n1
Show InChI InChI=1S/C12H10ClN5/c1-8-5-11(18-12(16-8)14-7-15-18)17-10-4-2-3-9(13)6-10/h2-7,17H,1H3
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Article
PubMed
n/an/a 1.40E+3n/an/an/an/a8.020



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial [100-517]


(Plasmodium berghei)
BDBM28838
PNG
(N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methyl-[1,...)
Show SMILES Cc1cc(Nc2ccc(Br)c(c2)C(F)(F)F)n2ncnc2n1
Show InChI InChI=1S/C13H9BrF3N5/c1-7-4-11(22-12(20-7)18-6-19-22)21-8-2-3-10(14)9(5-8)13(15,16)17/h2-6,21H,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM28839
PNG
(5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-[1...)
Show SMILES Cc1cc(Nc2ccc(C)c(c2)C(F)(F)F)n2ncnc2n1
Show InChI InChI=1S/C14H12F3N5/c1-8-3-4-10(6-11(8)14(15,16)17)21-12-5-9(2)20-13-18-7-19-22(12)13/h3-7,21H,1-2H3
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PubMed
n/an/a 1.55E+3n/an/an/an/an/an/a



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM28814
PNG
(N-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]...)
Show SMILES Cc1cc(Nc2ccc(Cl)cc2)n2ncnc2n1
Show InChI InChI=1S/C12H10ClN5/c1-8-6-11(18-12(16-8)14-7-15-18)17-10-4-2-9(13)3-5-10/h2-7,17H,1H3
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PubMed
n/an/a 1.60E+3n/an/an/an/a8.020



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM28823
PNG
(N-(4-benzylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]...)
Show SMILES Cc1cc(Nc2ccc(Cc3ccccc3)cc2)n2ncnc2n1
Show InChI InChI=1S/C19H17N5/c1-14-11-18(24-19(22-14)20-13-21-24)23-17-9-7-16(8-10-17)12-15-5-3-2-4-6-15/h2-11,13,23H,12H2,1H3
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Article
PubMed
n/an/a 2.20E+3n/an/an/an/a8.020



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial [100-517]


(Plasmodium berghei)
BDBM28837
PNG
(N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-[1...)
Show SMILES Cc1cc(Nc2ccc(Cl)c(c2)C(F)(F)F)n2ncnc2n1
Show InChI InChI=1S/C13H9ClF3N5/c1-7-4-11(22-12(20-7)18-6-19-22)21-8-2-3-10(14)9(5-8)13(15,16)17/h2-6,21H,1H3
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PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM28820
PNG
(N-[4-(difluoromethoxy)phenyl]-5-methyl-[1,2,4]tria...)
Show SMILES Cc1cc(Nc2ccc(OC(F)F)cc2)n2ncnc2n1
Show InChI InChI=1S/C13H11F2N5O/c1-8-6-11(20-13(18-8)16-7-17-20)19-9-2-4-10(5-3-9)21-12(14)15/h2-7,12,19H,1H3
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PubMed
n/an/a 2.80E+3n/an/an/an/a8.020



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial [100-517]


(Plasmodium berghei)
BDBM28842
PNG
(N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazo...)
Show SMILES Cc1cc(Nc2ccc(C)c(F)c2)n2ncnc2n1
Show InChI InChI=1S/C13H12FN5/c1-8-3-4-10(6-11(8)14)18-12-5-9(2)17-13-15-7-16-19(12)13/h3-7,18H,1-2H3
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PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial [100-517]


(Plasmodium berghei)
BDBM24413
PNG
(JMC521864 Compund DSM2 | N-(anthracen-2-yl)-5-meth...)
Show SMILES Cc1cc(Nc2ccc3cc4ccccc4cc3c2)n2ncnc2n1
Show InChI InChI=1S/C20H15N5/c1-13-8-19(25-20(23-13)21-12-22-25)24-18-7-6-16-9-14-4-2-3-5-15(14)10-17(16)11-18/h2-12,24H,1H3
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PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial [100-517]


(Plasmodium berghei)
BDBM28821
PNG
(5-methyl-N-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]p...)
Show SMILES Cc1cc(Nc2ccc(cc2)[N+]([O-])=O)n2ncnc2n1
Show InChI InChI=1S/C12H10N6O2/c1-8-6-11(17-12(15-8)13-7-14-17)16-9-2-4-10(5-3-9)18(19)20/h2-7,16H,1H3
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PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial [100-517]


(Plasmodium berghei)
BDBM28840
PNG
(N-(3,4-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,...)
Show SMILES Cc1cc(Nc2ccc(C)c(C)c2)n2ncnc2n1
Show InChI InChI=1S/C14H15N5/c1-9-4-5-12(6-10(9)2)18-13-7-11(3)17-14-15-8-16-19(13)14/h4-8,18H,1-3H3
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PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial [100-517]


(Plasmodium berghei)
BDBM28819
PNG
(5-methyl-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]tri...)
Show SMILES Cc1cc(Nc2ccc(OC(F)(F)F)cc2)n2ncnc2n1
Show InChI InChI=1S/C13H10F3N5O/c1-8-6-11(21-12(19-8)17-7-18-21)20-9-2-4-10(5-3-9)22-13(14,15)16/h2-7,20H,1H3
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PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM28816
PNG
(5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]...)
Show SMILES Cc1ccc(Nc2cc(C)nc3ncnn23)cc1
Show InChI InChI=1S/C13H13N5/c1-9-3-5-11(6-4-9)17-12-7-10(2)16-13-14-8-15-18(12)13/h3-8,17H,1-2H3
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PubMed
n/an/a 4.20E+3n/an/an/an/a8.020



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM28821
PNG
(5-methyl-N-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]p...)
Show SMILES Cc1cc(Nc2ccc(cc2)[N+]([O-])=O)n2ncnc2n1
Show InChI InChI=1S/C12H10N6O2/c1-8-6-11(17-12(15-8)13-7-14-17)16-9-2-4-10(5-3-9)18(19)20/h2-7,16H,1H3
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PubMed
n/an/a 4.30E+3n/an/an/an/a8.020



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM28818
PNG
(N-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a...)
Show SMILES COc1ccc(Nc2cc(C)nc3ncnn23)cc1
Show InChI InChI=1S/C13H13N5O/c1-9-7-12(18-13(16-9)14-8-15-18)17-10-3-5-11(19-2)6-4-10/h3-8,17H,1-2H3
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PubMed
n/an/a 4.60E+3n/an/an/an/a8.020



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM28836
PNG
(N-(4-fluoro-3-methylphenyl)-5-methyl-[1,2,4]triazo...)
Show SMILES Cc1cc(Nc2ccc(F)c(C)c2)n2ncnc2n1
Show InChI InChI=1S/C13H12FN5/c1-8-5-10(3-4-11(8)14)18-12-6-9(2)17-13-15-7-16-19(12)13/h3-7,18H,1-2H3
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n/an/a 4.60E+3n/an/an/an/an/an/a



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM28811
PNG
(5-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]...)
Show SMILES Cc1cccc(Nc2cc(C)nc3ncnn23)c1
Show InChI InChI=1S/C13H13N5/c1-9-4-3-5-11(6-9)17-12-7-10(2)16-13-14-8-15-18(12)13/h3-8,17H,1-2H3
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PubMed
n/an/a 4.90E+3n/an/an/an/a8.020



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM28841
PNG
(4-({5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}...)
Show SMILES Cc1cc(Nc2ccc(C#N)c(c2)C(F)(F)F)n2ncnc2n1
Show InChI InChI=1S/C14H9F3N6/c1-8-4-12(23-13(21-8)19-7-20-23)22-10-3-2-9(6-18)11(5-10)14(15,16)17/h2-5,7,22H,1H3
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PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM28822
PNG
(5-methyl-N-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]...)
Show SMILES Cc1cc(Nc2ccc(cc2)-c2ccccc2)n2ncnc2n1
Show InChI InChI=1S/C18H15N5/c1-13-11-17(23-18(21-13)19-12-20-23)22-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12,22H,1H3
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PubMed
n/an/a 5.30E+3n/an/an/an/a8.020



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial [100-517]


(Plasmodium berghei)
BDBM28814
PNG
(N-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]...)
Show SMILES Cc1cc(Nc2ccc(Cl)cc2)n2ncnc2n1
Show InChI InChI=1S/C12H10ClN5/c1-8-6-11(18-12(16-8)14-7-15-18)17-10-4-2-9(13)3-5-10/h2-7,17H,1H3
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PubMed
n/an/a 5.70E+3n/an/an/an/an/an/a



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial [100-517]


(Plasmodium berghei)
BDBM28839
PNG
(5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-[1...)
Show SMILES Cc1cc(Nc2ccc(C)c(c2)C(F)(F)F)n2ncnc2n1
Show InChI InChI=1S/C14H12F3N5/c1-8-3-4-10(6-11(8)14(15,16)17)21-12-5-9(2)20-13-18-7-19-22(12)13/h3-7,21H,1-2H3
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PubMed
n/an/a 7.30E+3n/an/an/an/an/an/a



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM28833
PNG
(N-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,...)
Show SMILES Cc1cc(Nc2ccc(F)c(F)c2)n2ncnc2n1
Show InChI InChI=1S/C12H9F2N5/c1-7-4-11(19-12(17-7)15-6-16-19)18-8-2-3-9(13)10(14)5-8/h2-6,18H,1H3
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PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM28809
PNG
(N-(3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]...)
Show SMILES Cc1cc(Nc2cccc(F)c2)n2ncnc2n1
Show InChI InChI=1S/C12H10FN5/c1-8-5-11(18-12(16-8)14-7-15-18)17-10-4-2-3-9(13)6-10/h2-7,17H,1H3
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PubMed
n/an/a 9.20E+3n/an/an/an/a8.020



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM28834
PNG
(N-(3,5-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,...)
Show SMILES Cc1cc(Nc2cc(F)cc(F)c2)n2ncnc2n1
Show InChI InChI=1S/C12H9F2N5/c1-7-2-11(19-12(17-7)15-6-16-19)18-10-4-8(13)3-9(14)5-10/h2-6,18H,1H3
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PubMed
n/an/a 9.40E+3n/an/an/an/an/an/a



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial [100-517]


(Plasmodium berghei)
BDBM28833
PNG
(N-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,...)
Show SMILES Cc1cc(Nc2ccc(F)c(F)c2)n2ncnc2n1
Show InChI InChI=1S/C12H9F2N5/c1-7-4-11(19-12(17-7)15-6-16-19)18-8-2-3-9(13)10(14)5-8/h2-6,18H,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial [100-517]


(Plasmodium berghei)
BDBM24412
PNG
(5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-...)
Show SMILES Cc1cc(Nc2ccccc2)n2ncnc2n1
Show InChI InChI=1S/C12H11N5/c1-9-7-11(16-10-5-3-2-4-6-10)17-12(15-9)13-8-14-17/h2-8,16H,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial [100-517]


(Plasmodium berghei)
BDBM28841
PNG
(4-({5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}...)
Show SMILES Cc1cc(Nc2ccc(C#N)c(c2)C(F)(F)F)n2ncnc2n1
Show InChI InChI=1S/C14H9F3N6/c1-8-4-12(23-13(21-8)19-7-20-23)22-10-3-2-9(6-18)11(5-10)14(15,16)17/h2-5,7,22H,1H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM28812
PNG
(5-methyl-N-[3-(trifluoromethyl)phenyl]-[1,2,4]tria...)
Show SMILES Cc1cc(Nc2cccc(c2)C(F)(F)F)n2ncnc2n1
Show InChI InChI=1S/C13H10F3N5/c1-8-5-11(21-12(19-8)17-7-18-21)20-10-4-2-3-9(6-10)13(14,15)16/h2-7,20H,1H3
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PubMed
n/an/a 1.40E+4n/an/an/an/a8.020



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial [100-517]


(Plasmodium berghei)
BDBM28816
PNG
(5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]...)
Show SMILES Cc1ccc(Nc2cc(C)nc3ncnn23)cc1
Show InChI InChI=1S/C13H13N5/c1-9-3-5-11(6-4-9)17-12-7-10(2)16-13-14-8-15-18(12)13/h3-8,17H,1-2H3
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM28828
PNG
(5-methyl-N-(2,4,5-trifluorophenyl)-[1,2,4]triazolo...)
Show SMILES Cc1cc(Nc2cc(F)c(F)cc2F)n2ncnc2n1
Show InChI InChI=1S/C12H8F3N5/c1-6-2-11(20-12(18-6)16-5-17-20)19-10-4-8(14)7(13)3-9(10)15/h2-5,19H,1H3
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PubMed
n/an/a 1.70E+4n/an/an/an/a8.020



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM28813
PNG
(N-(4-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]...)
Show SMILES Cc1cc(Nc2ccc(F)cc2)n2ncnc2n1
Show InChI InChI=1S/C12H10FN5/c1-8-6-11(18-12(16-8)14-7-15-18)17-10-4-2-9(13)3-5-10/h2-7,17H,1H3
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n/an/a 1.90E+4n/an/an/an/a8.020



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial [100-517]


(Plasmodium berghei)
BDBM28836
PNG
(N-(4-fluoro-3-methylphenyl)-5-methyl-[1,2,4]triazo...)
Show SMILES Cc1cc(Nc2ccc(F)c(C)c2)n2ncnc2n1
Show InChI InChI=1S/C13H12FN5/c1-8-5-10(3-4-11(8)14)18-12-6-9(2)17-13-15-7-16-19(12)13/h3-7,18H,1-2H3
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial [100-517]


(Plasmodium berghei)
BDBM28834
PNG
(N-(3,5-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,...)
Show SMILES Cc1cc(Nc2cc(F)cc(F)c2)n2ncnc2n1
Show InChI InChI=1S/C12H9F2N5/c1-7-2-11(19-12(17-7)15-6-16-19)18-10-4-8(13)3-9(14)5-10/h2-6,18H,1H3
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial [100-517]


(Plasmodium berghei)
BDBM28820
PNG
(N-[4-(difluoromethoxy)phenyl]-5-methyl-[1,2,4]tria...)
Show SMILES Cc1cc(Nc2ccc(OC(F)F)cc2)n2ncnc2n1
Show InChI InChI=1S/C13H11F2N5O/c1-8-6-11(20-13(18-8)16-7-17-20)19-9-2-4-10(5-3-9)21-12(14)15/h2-7,12,19H,1H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM28832
PNG
(N-(2-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazo...)
Show SMILES Cc1ccc(Nc2cc(C)nc3ncnn23)c(F)c1
Show InChI InChI=1S/C13H12FN5/c1-8-3-4-11(10(14)5-8)18-12-6-9(2)17-13-15-7-16-19(12)13/h3-7,18H,1-2H3
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PubMed
n/an/a 2.70E+4n/an/an/an/an/an/a



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Plasmodium falciparum (isolate 3D7))
BDBM28827
PNG
(5-methyl-N-(2,3,4-trifluorophenyl)-[1,2,4]triazolo...)
Show SMILES Cc1cc(Nc2ccc(F)c(F)c2F)n2ncnc2n1
Show InChI InChI=1S/C12H8F3N5/c1-6-4-9(20-12(18-6)16-5-17-20)19-8-3-2-7(13)10(14)11(8)15/h2-5,19H,1H3
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Article
PubMed
n/an/a 2.90E+4n/an/an/an/a8.020



University of Washington at Seattle



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


J Med Chem 52: 1864-72 (2009)


Article DOI: 10.1021/jm801343r
BindingDB Entry DOI: 10.7270/Q2QN653C
More data for this
Ligand-Target Pair
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