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Compile Data Set for Download or QSAR

Found 115 hits of ph data with Target = 'Dihydroorotate Dehydrogenase (DHODH)'   
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)


(Plasmodium falciparum)
BDBM14699
PNG
(1,3-diethyl 2-({8-thiatricyclo[7.4.0.0^{2,7}]tride...)
Show SMILES CCOC(=O)C(C=Nc1ccc2sc3ccccc3c2c1)C(=O)OCC
Show InChI InChI=1S/C20H19NO4S/c1-3-24-19(22)16(20(23)25-4-2)12-21-13-9-10-18-15(11-13)14-7-5-6-8-17(14)26-18/h5-12,16H,3-4H2,1-2H3
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UniChem
Article
PubMed
20 -43.9 160n/an/an/an/a8.025



University of Leeds



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


J Med Chem 50: 186-91 (2007)


Article DOI: 10.1021/jm060687j
BindingDB Entry DOI: 10.7270/Q2T43RB5
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
BDBM14710
PNG
(ChemBridge compound no. 2 | N-(4-Bromo-2-methylphe...)
Show SMILES Cc1cc(Br)ccc1NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H14BrNO/c1-12-10-16(19)8-9-17(12)20-18(21)15-7-6-13-4-2-3-5-14(13)11-15/h2-11H,1H3,(H,20,21)
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PubMed
20 -43.9 180n/an/an/an/a8.025



University of Leeds



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


J Med Chem 50: 186-91 (2007)


Article DOI: 10.1021/jm060687j
BindingDB Entry DOI: 10.7270/Q2T43RB5
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
BDBM14711
PNG
(Asinex compound no. 6 | N-(3,5-Dichlorophenyl)-2-m...)
Show SMILES Cc1c(cccc1[N+]([O-])=O)C(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C14H10Cl2N2O3/c1-8-12(3-2-4-13(8)18(20)21)14(19)17-11-6-9(15)5-10(16)7-11/h2-7H,1H3,(H,17,19)
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Article
PubMed
30 -42.9 230n/an/an/an/a8.025



University of Leeds



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


J Med Chem 50: 186-91 (2007)


Article DOI: 10.1021/jm060687j
BindingDB Entry DOI: 10.7270/Q2T43RB5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
BDBM14701
PNG
(2-Cyano-3-(9-ethyl-9H-carbazol-3-ylamino)acrylic A...)
Show SMILES CCOC(=O)C(C=Nc1ccc2n(CC)c3ccccc3c2c1)C#N
Show InChI InChI=1S/C20H19N3O2/c1-3-23-18-8-6-5-7-16(18)17-11-15(9-10-19(17)23)22-13-14(12-21)20(24)25-4-2/h5-11,13-14H,3-4H2,1-2H3
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PubMed
50 -41.7 440n/an/an/an/a8.025



University of Leeds



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


J Med Chem 50: 186-91 (2007)


Article DOI: 10.1021/jm060687j
BindingDB Entry DOI: 10.7270/Q2T43RB5
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
BDBM29027
PNG
(cyanohydroxybutenamide, 17)
Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1Cl)-c1ccccc1Cl
Show InChI InChI=1S/C17H12Cl2N2O2/c1-10(22)13(9-20)17(23)21-16-7-6-11(8-15(16)19)12-4-2-3-5-14(12)18/h2-8,13H,1H3,(H,21,23)
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PubMed
480 -36.1 4.00E+3n/an/an/an/a8.025



University of Leeds



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


J Med Chem 52: 2683-93 (2009)


Article DOI: 10.1021/jm800963t
BindingDB Entry DOI: 10.7270/Q2PN93ZK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
BDBM29028
PNG
(cyanohydroxybutenamide, 18)
Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1C(F)(F)F)-c1ccccc1Cl
Show InChI InChI=1S/C18H12ClF3N2O2/c1-10(25)13(9-23)17(26)24-16-7-6-11(8-14(16)18(20,21)22)12-4-2-3-5-15(12)19/h2-8,13H,1H3,(H,24,26)
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PubMed
730 -35.0 6.20E+3n/an/an/an/a8.025



University of Leeds



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


J Med Chem 52: 2683-93 (2009)


Article DOI: 10.1021/jm800963t
BindingDB Entry DOI: 10.7270/Q2PN93ZK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
BDBM29029
PNG
(cyanohydroxybutenamide, 19)
Show SMILES COc1ccccc1-c1ccc(NC(=O)C(C#N)C(C)=O)c(Cl)c1
Show InChI InChI=1S/C18H15ClN2O3/c1-11(22)14(10-20)18(23)21-16-8-7-12(9-15(16)19)13-5-3-4-6-17(13)24-2/h3-9,14H,1-2H3,(H,21,23)
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PubMed
1.00E+3 -34.2 8.60E+3n/an/an/an/a8.025



University of Leeds



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


J Med Chem 52: 2683-93 (2009)


Article DOI: 10.1021/jm800963t
BindingDB Entry DOI: 10.7270/Q2PN93ZK
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
BDBM29031
PNG
(cyanohydroxybutenamide, 21)
Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1Cl)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C17H11Cl3N2O2/c1-9(23)11(8-21)17(24)22-15-6-5-10(7-14(15)20)16-12(18)3-2-4-13(16)19/h2-7,11H,1H3,(H,22,24)
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PubMed
1.20E+3 -33.8 1.02E+4n/an/an/an/a8.025



University of Leeds



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


J Med Chem 52: 2683-93 (2009)


Article DOI: 10.1021/jm800963t
BindingDB Entry DOI: 10.7270/Q2PN93ZK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
BDBM29030
PNG
(cyanohydroxybutenamide, 20)
Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1Cl)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C17H11Cl3N2O2/c1-9(23)12(8-21)17(24)22-15-6-5-10(7-14(15)19)11-3-2-4-13(18)16(11)20/h2-7,12H,1H3,(H,22,24)
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PubMed
1.20E+3 -33.8 9.90E+3n/an/an/an/a8.025



University of Leeds



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


J Med Chem 52: 2683-93 (2009)


Article DOI: 10.1021/jm800963t
BindingDB Entry DOI: 10.7270/Q2PN93ZK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
BDBM14708
PNG
(Ethyl 3-(biphenyl-3-ylamino)-2-cyanoacrylate | bip...)
Show SMILES CCOC(=O)C(C=Nc1cccc(c1)-c1ccccc1)C#N
Show InChI InChI=1S/C18H16N2O2/c1-2-22-18(21)16(12-19)13-20-17-10-6-9-15(11-17)14-7-4-3-5-8-14/h3-11,13,16H,2H2,1H3
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PubMed
2.45E+3 -32.0 2.13E+4n/an/an/an/a8.025



University of Leeds



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


J Med Chem 50: 186-91 (2007)


Article DOI: 10.1021/jm060687j
BindingDB Entry DOI: 10.7270/Q2T43RB5
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
BDBM29025
PNG
(cyanohydroxybutenamide, 10)
Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H14N2O2/c1-12(20)16(11-18)17(21)19-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16H,1H3,(H,19,21)
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PubMed
3.00E+3 -31.5 2.57E+4n/an/an/an/a8.025



University of Leeds



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


J Med Chem 52: 2683-93 (2009)


Article DOI: 10.1021/jm800963t
BindingDB Entry DOI: 10.7270/Q2PN93ZK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
BDBM29036
PNG
(cyanohydroxybutenamide, 26)
Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C17H12Cl2N2O2/c1-10(22)14(9-20)17(23)21-12-7-5-11(6-8-12)13-3-2-4-15(18)16(13)19/h2-8,14H,1H3,(H,21,23)
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PubMed
3.20E+3 -31.4 2.72E+4n/an/an/an/a8.025



University of Leeds



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


J Med Chem 52: 2683-93 (2009)


Article DOI: 10.1021/jm800963t
BindingDB Entry DOI: 10.7270/Q2PN93ZK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
BDBM14702
PNG
(1,3-diethyl 2-[(1H-indazol-5-ylamino)methylidene]p...)
Show SMILES CCOC(=O)C(C=Nc1ccc2n[nH]cc2c1)C(=O)OCC
Show InChI InChI=1S/C15H17N3O4/c1-3-21-14(19)12(15(20)22-4-2)9-16-11-5-6-13-10(7-11)8-17-18-13/h5-9,12H,3-4H2,1-2H3,(H,17,18)
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3.20E+3 -31.4 2.78E+4n/an/an/an/a8.025



University of Leeds



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


J Med Chem 50: 186-91 (2007)


Article DOI: 10.1021/jm060687j
BindingDB Entry DOI: 10.7270/Q2T43RB5
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
BDBM14703
PNG
(1,3-diethyl 2-{[(4-methylphenyl)amino]methylidene}...)
Show SMILES CCOC(=O)C(C=Nc1ccc(C)cc1)C(=O)OCC
Show InChI InChI=1S/C15H19NO4/c1-4-19-14(17)13(15(18)20-5-2)10-16-12-8-6-11(3)7-9-12/h6-10,13H,4-5H2,1-3H3
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PubMed
4.60E+3 -30.5 4.00E+4n/an/an/an/a8.025



University of Leeds



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


J Med Chem 50: 186-91 (2007)


Article DOI: 10.1021/jm060687j
BindingDB Entry DOI: 10.7270/Q2T43RB5
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
BDBM16093
PNG
(2-[(biphenyl-4-ylcarbonyl)(methyl)amino]benzoic ac...)
Show SMILES CN(C(=O)c1ccc(cc1)-c1ccccc1)c1ccccc1C(O)=O
Show InChI InChI=1S/C21H17NO3/c1-22(19-10-6-5-9-18(19)21(24)25)20(23)17-13-11-16(12-14-17)15-7-3-2-4-8-15/h2-14H,1H3,(H,24,25)
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PubMed
4.90E+3 -30.3 4.26E+4n/an/an/an/a8.025



University of Leeds



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


Bioorg Med Chem Lett 16: 88-92 (2006)


Article DOI: 10.1016/j.bmcl.2005.09.045
BindingDB Entry DOI: 10.7270/Q2N29V6N
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
BDBM29037
PNG
(cyanohydroxybutenamide, 27)
Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)-c1ccccc1Cl
Show InChI InChI=1S/C17H13ClN2O2/c1-11(21)15(10-19)17(22)20-13-8-6-12(7-9-13)14-4-2-3-5-16(14)18/h2-9,15H,1H3,(H,20,22)
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5.60E+3 -30.0 4.74E+4n/an/an/an/a8.025



University of Leeds



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


J Med Chem 52: 2683-93 (2009)


Article DOI: 10.1021/jm800963t
BindingDB Entry DOI: 10.7270/Q2PN93ZK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
BDBM29032
PNG
(cyanohydroxybutenamide, 22)
Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1Cl)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H12Cl2N2O2/c1-10(22)14(9-20)17(23)21-16-6-5-12(8-15(16)19)11-3-2-4-13(18)7-11/h2-8,14H,1H3,(H,21,23)
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PubMed
5.80E+3 -29.9 4.91E+4n/an/an/an/a8.025



University of Leeds



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


J Med Chem 52: 2683-93 (2009)


Article DOI: 10.1021/jm800963t
BindingDB Entry DOI: 10.7270/Q2PN93ZK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
BDBM29038
PNG
(cyanohydroxybutenamide, 28)
Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1Cl)-c1ccccc1
Show InChI InChI=1S/C17H13ClN2O2/c1-11(21)14(10-19)17(22)20-16-8-7-13(9-15(16)18)12-5-3-2-4-6-12/h2-9,14H,1H3,(H,20,22)
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PubMed
6.00E+3 -29.8 5.11E+4n/an/an/an/a8.025



University of Leeds



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


J Med Chem 52: 2683-93 (2009)


Article DOI: 10.1021/jm800963t
BindingDB Entry DOI: 10.7270/Q2PN93ZK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
BDBM29033
PNG
(cyanohydroxybutenamide, 23)
Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1C(F)(F)F)-c1cccc(Cl)c1
Show InChI InChI=1S/C18H12ClF3N2O2/c1-10(25)14(9-23)17(26)24-16-6-5-12(8-15(16)18(20,21)22)11-3-2-4-13(19)7-11/h2-8,14H,1H3,(H,24,26)
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PubMed
6.80E+3 -29.5 5.72E+4n/an/an/an/a8.025



University of Leeds



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


J Med Chem 52: 2683-93 (2009)


Article DOI: 10.1021/jm800963t
BindingDB Entry DOI: 10.7270/Q2PN93ZK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
BDBM14709
PNG
(1,3-diethyl 2-{[(3-phenylphenyl)amino]methylidene}...)
Show SMILES CCOC(=O)C(C=Nc1cccc(c1)-c1ccccc1)C(=O)OCC
Show InChI InChI=1S/C20H21NO4/c1-3-24-19(22)18(20(23)25-4-2)14-21-17-12-8-11-16(13-17)15-9-6-5-7-10-15/h5-14,18H,3-4H2,1-2H3
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PubMed
1.00E+4 -28.5 8.67E+4n/an/an/an/a8.025



University of Leeds



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


J Med Chem 50: 186-91 (2007)


Article DOI: 10.1021/jm060687j
BindingDB Entry DOI: 10.7270/Q2T43RB5
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
BDBM16095
PNG
(2-[(6-bromonaphthalene-2-)(methyl)amido]benzoic ac...)
Show SMILES CN(C(=O)c1ccc2cc(Br)ccc2c1)c1ccccc1C(O)=O
Show InChI InChI=1S/C19H14BrNO3/c1-21(17-5-3-2-4-16(17)19(23)24)18(22)14-7-6-13-11-15(20)9-8-12(13)10-14/h2-11H,1H3,(H,23,24)
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PubMed
1.08E+4 -28.3 9.34E+4n/an/an/an/a8.025



University of Leeds



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


Bioorg Med Chem Lett 16: 88-92 (2006)


Article DOI: 10.1016/j.bmcl.2005.09.045
BindingDB Entry DOI: 10.7270/Q2N29V6N
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
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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PubMed
1.10E+4 -28.3 9.25E+4n/an/an/an/a8.025



University of Leeds



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


J Med Chem 52: 2683-93 (2009)


Article DOI: 10.1021/jm800963t
BindingDB Entry DOI: 10.7270/Q2PN93ZK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
BDBM16096
PNG
(2-[(6-bromonaphthalene-2-)amido]benzoic acid | 2-{...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc2cc(Br)ccc2c1
Show InChI InChI=1S/C18H12BrNO3/c19-14-8-7-11-9-13(6-5-12(11)10-14)17(21)20-16-4-2-1-3-15(16)18(22)23/h1-10H,(H,20,21)(H,22,23)
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PubMed
1.64E+4 -27.3 1.43E+5n/an/an/an/a8.025



University of Leeds



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


Bioorg Med Chem Lett 16: 88-92 (2006)


Article DOI: 10.1016/j.bmcl.2005.09.045
BindingDB Entry DOI: 10.7270/Q2N29V6N
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
BDBM16094
PNG
(2-[(4-phenylbenzene)amido]benzoic acid | 2-[(biphe...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H15NO3/c22-19(21-18-9-5-4-8-17(18)20(23)24)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H,21,22)(H,23,24)
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PubMed
1.77E+4 -27.1 1.54E+5n/an/an/an/a8.025



University of Leeds



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


Bioorg Med Chem Lett 16: 88-92 (2006)


Article DOI: 10.1016/j.bmcl.2005.09.045
BindingDB Entry DOI: 10.7270/Q2N29V6N
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
BDBM29034
PNG
(cyanohydroxybutenamide, 24)
Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(c(Cl)c1)-c1ccccc1Cl
Show InChI InChI=1S/C17H12Cl2N2O2/c1-10(22)14(9-20)17(23)21-11-6-7-13(16(19)8-11)12-4-2-3-5-15(12)18/h2-8,14H,1H3,(H,21,23)
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PubMed
2.05E+4 -26.8 1.65E+5n/an/an/an/a8.025



University of Leeds



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


J Med Chem 52: 2683-93 (2009)


Article DOI: 10.1021/jm800963t
BindingDB Entry DOI: 10.7270/Q2PN93ZK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
BDBM29039
PNG
(cyanohydroxybutenamide, 29)
Show SMILES CCOc1cccc(c1)-c1ccc(NC(=O)C(C#N)C(C)=O)cc1
Show InChI InChI=1S/C19H18N2O3/c1-3-24-17-6-4-5-15(11-17)14-7-9-16(10-8-14)21-19(23)18(12-20)13(2)22/h4-11,18H,3H2,1-2H3,(H,21,23)
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2.15E+4 -26.6 1.82E+5n/an/an/an/a8.025



University of Leeds



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


J Med Chem 52: 2683-93 (2009)


Article DOI: 10.1021/jm800963t
BindingDB Entry DOI: 10.7270/Q2PN93ZK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
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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PubMed
2.20E+4 -26.6 1.90E+5n/an/an/an/a8.025



University of Leeds



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


J Med Chem 52: 2683-93 (2009)


Article DOI: 10.1021/jm800963t
BindingDB Entry DOI: 10.7270/Q2PN93ZK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
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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PubMed
2.34E+4 -26.4 1.90E+5n/an/an/an/a8.025



University of Leeds



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


J Med Chem 50: 186-91 (2007)


Article DOI: 10.1021/jm060687j
BindingDB Entry DOI: 10.7270/Q2T43RB5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
BDBM29026
PNG
(CHEMBL142996 | cyanocyclopropylpropenamide, 11)
Show SMILES O=C(Nc1ccc(cc1)-c1ccccc1)C(C#N)C(=O)C1CC1
Show InChI InChI=1S/C19H16N2O2/c20-12-17(18(22)15-6-7-15)19(23)21-16-10-8-14(9-11-16)13-4-2-1-3-5-13/h1-5,8-11,15,17H,6-7H2,(H,21,23)
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PubMed
2.60E+4 -26.2 2.24E+5n/an/an/an/a8.025



University of Leeds



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


J Med Chem 52: 2683-93 (2009)


Article DOI: 10.1021/jm800963t
BindingDB Entry DOI: 10.7270/Q2PN93ZK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
BDBM29035
PNG
(cyanohydroxybutenamide, 25)
Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(c(Cl)c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H12Cl2N2O2/c1-10(22)15(9-20)17(23)21-13-5-6-14(16(19)8-13)11-3-2-4-12(18)7-11/h2-8,15H,1H3,(H,21,23)
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PubMed
2.80E+4 -26.0 2.37E+5n/an/an/an/a8.025



University of Leeds



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


J Med Chem 52: 2683-93 (2009)


Article DOI: 10.1021/jm800963t
BindingDB Entry DOI: 10.7270/Q2PN93ZK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
BDBM14704
PNG
(1,3-diethyl 2-{[(2-methylphenyl)amino]methylidene}...)
Show SMILES CCOC(=O)C(C=Nc1ccccc1C)C(=O)OCC
Show InChI InChI=1S/C15H19NO4/c1-4-19-14(17)12(15(18)20-5-2)10-16-13-9-7-6-8-11(13)3/h6-10,12H,4-5H2,1-3H3
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PubMed
3.97E+4 -25.1 3.46E+5n/an/an/an/a8.025



University of Leeds



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


J Med Chem 50: 186-91 (2007)


Article DOI: 10.1021/jm060687j
BindingDB Entry DOI: 10.7270/Q2T43RB5
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
BDBM14705
PNG
(1,3-diethyl 2-[(1H-1,3-benzodiazol-5-ylamino)methy...)
Show SMILES CCOC(=O)C(C=Nc1ccc2nc[nH]c2c1)C(=O)OCC
Show InChI InChI=1S/C15H17N3O4/c1-3-21-14(19)11(15(20)22-4-2)8-16-10-5-6-12-13(7-10)18-9-17-12/h5-9,11H,3-4H2,1-2H3,(H,17,18)
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PubMed
4.02E+4 -25.1 3.49E+5n/an/an/an/a8.025



University of Leeds



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


J Med Chem 50: 186-91 (2007)


Article DOI: 10.1021/jm060687j
BindingDB Entry DOI: 10.7270/Q2T43RB5
More data for this
Ligand-Target Pair
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
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 (DHODH)


(Plasmodium falciparum)
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 (DHODH)


(Plasmodium falciparum)
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 (DHODH)


(Plasmodium falciparum)
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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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 (DHODH)


(Plasmodium falciparum)
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 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 (DHODH)


(Plasmodium falciparum)
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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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 (DHODH)


(Plasmodium falciparum)
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 (DHODH)


(Plasmodium falciparum)
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 (DHODH)


(Plasmodium falciparum)
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 (DHODH)


(Plasmodium falciparum)
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 (DHODH)


(Plasmodium falciparum)
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 (DHODH)


(Plasmodium falciparum)
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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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 (DHODH)


(Plasmodium falciparum)
BDBM28824
PNG
(N-(2,3-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,...)
Show SMILES Cc1cc(Nc2cccc(F)c2F)n2ncnc2n1
Show InChI InChI=1S/C12H9F2N5/c1-7-5-10(19-12(17-7)15-6-16-19)18-9-4-2-3-8(13)11(9)14/h2-6,18H,1H3
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PubMed
n/an/a 3.90E+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 (DHODH)


(Plasmodium falciparum)
BDBM28825
PNG
(N-(2,5-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,...)
Show SMILES Cc1cc(Nc2cc(F)ccc2F)n2ncnc2n1
Show InChI InChI=1S/C12H9F2N5/c1-7-4-11(19-12(17-7)15-6-16-19)18-10-5-8(13)2-3-9(10)14/h2-6,18H,1H3
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PubMed
n/an/a>5.00E+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 (DHODH)


(Plasmodium falciparum)
BDBM28826
PNG
(N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,...)
Show SMILES Cc1cc(Nc2c(F)cccc2F)n2ncnc2n1
Show InChI InChI=1S/C12H9F2N5/c1-7-5-10(19-12(17-7)15-6-16-19)18-11-8(13)3-2-4-9(11)14/h2-6,18H,1H3
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PubMed
n/an/a>1.00E+5n/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 (DHODH)


(Plasmodium falciparum)
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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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
Dihydroorotate Dehydrogenase (DHODH)


(Plasmodium falciparum)
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 (DHODH)


(Plasmodium falciparum)
BDBM28829
PNG
(5-methyl-N-(2,4,6-trifluorophenyl)-[1,2,4]triazolo...)
Show SMILES Cc1cc(Nc2c(F)cc(F)cc2F)n2ncnc2n1
Show InChI InChI=1S/C12H8F3N5/c1-6-2-10(20-12(18-6)16-5-17-20)19-11-8(14)3-7(13)4-9(11)15/h2-5,19H,1H3
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Article
PubMed
n/an/a>1.00E+5n/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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