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Compile Data Set for Download or QSAR

Found 101 hits of ph data with Target = 'Dihydroorotate dehydrogenase'   
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))
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
700 -35.1 5.00E+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...


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


(Homo sapiens (Human))
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
1.10E+3 -34.0 8.40E+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...


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


(Homo sapiens (Human))
BDBM16098
PNG
(2-(naphthalene-2-amido)benzoic acid | 2-[(naphthal...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H13NO3/c20-17(19-16-8-4-3-7-15(16)18(21)22)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,(H,19,20)(H,21,22)
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PubMed
1.80E+3 -32.8 1.38E+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


(Homo sapiens (Human))
BDBM16099
PNG
(3-carbamoyl-5-(4-phenylphenyl)benzoic acid | 5-car...)
Show SMILES NC(=O)c1cc(cc(c1)-c1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C20H15NO3/c21-19(22)17-10-16(11-18(12-17)20(23)24)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H2,21,22)(H,23,24)
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PubMed
2.80E+3 -31.4n/an/an/an/an/a8.022



Cornell University



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: 1610-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.029
BindingDB Entry DOI: 10.7270/Q2H993FV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM16103
PNG
(3-carbamoyl-5-[3-(3-methylphenyl)phenyl]benzoic ac...)
Show SMILES Cc1cccc(c1)-c1cccc(c1)-c1cc(cc(c1)C(O)=O)C(N)=O
Show InChI InChI=1S/C21H17NO3/c1-13-4-2-5-14(8-13)15-6-3-7-16(9-15)17-10-18(20(22)23)12-19(11-17)21(24)25/h2-12H,1H3,(H2,22,23)(H,24,25)
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PubMed
3.70E+3 -30.7n/an/an/an/an/a8.022



Cornell University



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: 1610-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.029
BindingDB Entry DOI: 10.7270/Q2H993FV
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM16101
PNG
(3-carbamoyl-5-[3-(4-methylphenyl)phenyl]benzoic ac...)
Show SMILES Cc1ccc(cc1)-c1cccc(c1)-c1cc(cc(c1)C(O)=O)C(N)=O
Show InChI InChI=1S/C21H17NO3/c1-13-5-7-14(8-6-13)15-3-2-4-16(9-15)17-10-18(20(22)23)12-19(11-17)21(24)25/h2-12H,1H3,(H2,22,23)(H,24,25)
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PubMed
4.00E+3 -30.5n/an/an/an/an/a8.022



Cornell University



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: 1610-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.029
BindingDB Entry DOI: 10.7270/Q2H993FV
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM16104
PNG
(3-[3-(4-tert-butylphenyl)phenyl]-5-carbamoylbenzoi...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1cccc(c1)-c1cc(cc(c1)C(O)=O)C(N)=O
Show InChI InChI=1S/C24H23NO3/c1-24(2,3)21-9-7-15(8-10-21)16-5-4-6-17(11-16)18-12-19(22(25)26)14-20(13-18)23(27)28/h4-14H,1-3H3,(H2,25,26)(H,27,28)
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4.00E+3 -30.5n/an/an/an/an/a8.022



Cornell University



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: 1610-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.029
BindingDB Entry DOI: 10.7270/Q2H993FV
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM16105
PNG
(3-carbamoyl-5-{3-[4-(trifluoromethyl)phenyl]phenyl...)
Show SMILES NC(=O)c1cc(cc(c1)-c1cccc(c1)-c1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C21H14F3NO3/c22-21(23,24)18-6-4-12(5-7-18)13-2-1-3-14(8-13)15-9-16(19(25)26)11-17(10-15)20(27)28/h1-11H,(H2,25,26)(H,27,28)
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PubMed
6.00E+3 -29.5n/an/an/an/an/a8.022



Cornell University



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: 1610-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.029
BindingDB Entry DOI: 10.7270/Q2H993FV
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM16102
PNG
(3-carbamoyl-5-(3-phenylphenyl)benzoic acid | 5-car...)
Show SMILES NC(=O)c1cc(cc(c1)-c1cccc(c1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C20H15NO3/c21-19(22)17-10-16(11-18(12-17)20(23)24)15-8-4-7-14(9-15)13-5-2-1-3-6-13/h1-12H,(H2,21,22)(H,23,24)
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PubMed
2.00E+4 -26.6n/an/an/an/an/a8.022



Cornell University



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: 1610-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.029
BindingDB Entry DOI: 10.7270/Q2H993FV
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM16106
PNG
(3-carbamoyl-5-{4-[4-(trifluoromethyl)phenyl]phenyl...)
Show SMILES NC(=O)c1cc(cc(c1)-c1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C21H14F3NO3/c22-21(23,24)18-7-5-13(6-8-18)12-1-3-14(4-2-12)15-9-16(19(25)26)11-17(10-15)20(27)28/h1-11H,(H2,25,26)(H,27,28)
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PubMed
>1.00E+5>-22.6n/an/an/an/an/a8.022



Cornell University



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: 1610-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.029
BindingDB Entry DOI: 10.7270/Q2H993FV
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM16107
PNG
(3-[4-(4-tert-butylphenyl)phenyl]-5-carbamoylbenzoi...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1ccc(cc1)-c1cc(cc(c1)C(O)=O)C(N)=O
Show InChI InChI=1S/C24H23NO3/c1-24(2,3)21-10-8-16(9-11-21)15-4-6-17(7-5-15)18-12-19(22(25)26)14-20(13-18)23(27)28/h4-14H,1-3H3,(H2,25,26)(H,27,28)
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>1.00E+5>-22.6n/an/an/an/an/a8.022



Cornell University



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: 1610-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.029
BindingDB Entry DOI: 10.7270/Q2H993FV
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM16108
PNG
(3-carbamoyl-5-[4-(4-methylphenyl)phenyl]benzoic ac...)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)-c1cc(cc(c1)C(O)=O)C(N)=O
Show InChI InChI=1S/C21H17NO3/c1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)17-10-18(20(22)23)12-19(11-17)21(24)25/h2-12H,1H3,(H2,22,23)(H,24,25)
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>1.00E+5>-22.6n/an/an/an/an/a8.022



Cornell University



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: 1610-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.029
BindingDB Entry DOI: 10.7270/Q2H993FV
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
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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n/an/a>2.00E+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


(Homo sapiens (Human))
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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n/an/a>2.00E+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


(Homo sapiens (Human))
BDBM16097
PNG
(2-[methyl(naphthalen-2-ylcarbonyl)amino]benzoic ac...)
Show SMILES CN(C(=O)c1ccc2ccccc2c1)c1ccccc1C(O)=O
Show InChI InChI=1S/C19H15NO3/c1-20(17-9-5-4-8-16(17)19(22)23)18(21)15-11-10-13-6-2-3-7-14(13)12-15/h2-12H,1H3,(H,22,23)
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n/an/a>2.00E+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


(Homo sapiens (Human))
BDBM15339
PNG
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F
Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)
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n/an/a 7n/an/an/an/a8.030



4SC AG



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 49: 1239-47 (2006)


Article DOI: 10.1021/jm0506975
BindingDB Entry DOI: 10.7270/Q2571988
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM1542
PNG
(2-({2-fluoro-4-[3-(trifluoromethoxy)phenyl]phenyl}...)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1ccc(cc1F)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C20H15F4NO4/c21-16-10-12(11-3-1-4-13(9-11)29-20(22,23)24)7-8-17(16)25-18(26)14-5-2-6-15(14)19(27)28/h1,3-4,7-10H,2,5-6H2,(H,25,26)(H,27,28)
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n/an/a 280n/an/an/an/a8.030



4SC AG



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 49: 1239-47 (2006)


Article DOI: 10.1021/jm0506975
BindingDB Entry DOI: 10.7270/Q2571988
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM15343
PNG
(2-({2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phe...)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1c(F)cc(cc1F)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C20H14F5NO4/c21-15-8-11(10-3-1-4-12(7-10)30-20(23,24)25)9-16(22)17(15)26-18(27)13-5-2-6-14(13)19(28)29/h1,3-4,7-9H,2,5-6H2,(H,26,27)(H,28,29)
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n/an/a 33n/an/an/an/a8.030



4SC AG



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 49: 1239-47 (2006)


Article DOI: 10.1021/jm0506975
BindingDB Entry DOI: 10.7270/Q2571988
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM15344
PNG
(2-({2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)phe...)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1c(F)c(F)c(c(F)c1F)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C20H12F7NO4/c21-13-12(8-3-1-4-9(7-8)32-20(25,26)27)14(22)16(24)17(15(13)23)28-18(29)10-5-2-6-11(10)19(30)31/h1,3-4,7H,2,5-6H2,(H,28,29)(H,30,31)
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n/an/a 7n/an/an/an/a8.030



4SC AG



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 49: 1239-47 (2006)


Article DOI: 10.1021/jm0506975
BindingDB Entry DOI: 10.7270/Q2571988
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM16114
PNG
(3-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}t...)
Show SMILES COc1cccc(c1)-c1ccc(NC(=O)c2ccsc2C(O)=O)c(F)c1
Show InChI InChI=1S/C19H14FNO4S/c1-25-13-4-2-3-11(9-13)12-5-6-16(15(20)10-12)21-18(22)14-7-8-26-17(14)19(23)24/h2-10H,1H3,(H,21,22)(H,23,24)
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n/an/a 44n/an/an/an/a8.030



4SC AG



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 49: 1239-47 (2006)


Article DOI: 10.1021/jm0506975
BindingDB Entry DOI: 10.7270/Q2571988
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM15341
PNG
(3-({2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phe...)
Show SMILES OC(=O)c1sccc1C(=O)Nc1c(F)cc(cc1F)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C19H10F5NO4S/c20-13-7-10(9-2-1-3-11(6-9)29-19(22,23)24)8-14(21)15(13)25-17(26)12-4-5-30-16(12)18(27)28/h1-8H,(H,25,26)(H,27,28)
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n/an/a 2n/an/an/an/a8.030



4SC AG



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 49: 1239-47 (2006)


Article DOI: 10.1021/jm0506975
BindingDB Entry DOI: 10.7270/Q2571988
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM102446
PNG
(US8536165, 1)
Show SMILES OC(=O)c1cc(ccc1Nc1cnc(nc1)-c1ccccc1)C1CC1
Show InChI InChI=1S/C20H17N3O2/c24-20(25)17-10-15(13-6-7-13)8-9-18(17)23-16-11-21-19(22-12-16)14-4-2-1-3-5-14/h1-5,8-13,23H,6-7H2,(H,24,25)
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n/an/a 105n/an/an/an/a8.0n/a



Almirall, S.A.

US Patent


Assay Description
Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...


US Patent US8536165 (2013)


BindingDB Entry DOI: 10.7270/Q2C24V2G
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM102447
PNG
(US8536165, 4)
Show SMILES Cc1ccc(Nc2ccc(nc2)-c2cccc(c2)C(F)(F)F)c(c1)C(O)=O
Show InChI InChI=1S/C20H15F3N2O2/c1-12-5-7-18(16(9-12)19(26)27)25-15-6-8-17(24-11-15)13-3-2-4-14(10-13)20(21,22)23/h2-11,25H,1H3,(H,26,27)
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Almirall, S.A.

US Patent


Assay Description
Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...


US Patent US8536165 (2013)


BindingDB Entry DOI: 10.7270/Q2C24V2G
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM102448
PNG
(US8536165, 6)
Show SMILES OC(=O)c1cc(ccc1Nc1cnc(nc1)-c1c(F)cc(O)cc1F)C1CC1
Show InChI InChI=1S/C20H15F2N3O3/c21-15-6-13(26)7-16(22)18(15)19-23-8-12(9-24-19)25-17-4-3-11(10-1-2-10)5-14(17)20(27)28/h3-10,25-26H,1-2H2,(H,27,28)
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Almirall, S.A.

US Patent


Assay Description
Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...


US Patent US8536165 (2013)


BindingDB Entry DOI: 10.7270/Q2C24V2G
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM102449
PNG
(US8536165, 7)
Show SMILES COc1ncc(Nc2ccc(cc2C(O)=O)C2CC2)cc1-c1ccccc1
Show InChI InChI=1S/C22H20N2O3/c1-27-21-18(15-5-3-2-4-6-15)12-17(13-23-21)24-20-10-9-16(14-7-8-14)11-19(20)22(25)26/h2-6,9-14,24H,7-8H2,1H3,(H,25,26)
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Almirall, S.A.

US Patent


Assay Description
Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...


US Patent US8536165 (2013)


BindingDB Entry DOI: 10.7270/Q2C24V2G
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM102450
PNG
(US8536165, 8)
Show SMILES Cc1ccc(Nc2cnc(c(F)c2)-c2ccccc2)c(c1)C(O)=O
Show InChI InChI=1S/C19H15FN2O2/c1-12-7-8-17(15(9-12)19(23)24)22-14-10-16(20)18(21-11-14)13-5-3-2-4-6-13/h2-11,22H,1H3,(H,23,24)
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Almirall, S.A.

US Patent


Assay Description
Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...


US Patent US8536165 (2013)


BindingDB Entry DOI: 10.7270/Q2C24V2G
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM102451
PNG
(US8536165, 14)
Show SMILES OC(=O)c1cc(ccc1Nc1cnc(nc1)-c1ccccc1C1CC1)C1CC1
Show InChI InChI=1S/C23H21N3O2/c27-23(28)20-11-16(14-5-6-14)9-10-21(20)26-17-12-24-22(25-13-17)19-4-2-1-3-18(19)15-7-8-15/h1-4,9-15,26H,5-8H2,(H,27,28)
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Almirall, S.A.

US Patent


Assay Description
Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...


US Patent US8536165 (2013)


BindingDB Entry DOI: 10.7270/Q2C24V2G
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM102452
PNG
(US8536165, 15)
Show SMILES OC(=O)c1cc(ccc1Nc1cncc(c1)-c1ccccc1)C1CC1
Show InChI InChI=1S/C21H18N2O2/c24-21(25)19-11-16(15-6-7-15)8-9-20(19)23-18-10-17(12-22-13-18)14-4-2-1-3-5-14/h1-5,8-13,15,23H,6-7H2,(H,24,25)
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Almirall, S.A.

US Patent


Assay Description
Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...


US Patent US8536165 (2013)


BindingDB Entry DOI: 10.7270/Q2C24V2G
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM102453
PNG
(US8536165, 18)
Show SMILES Cc1ccc(Nc2cc(Cl)cnc2-c2ccccc2)c(c1)C(O)=O
Show InChI InChI=1S/C19H15ClN2O2/c1-12-7-8-16(15(9-12)19(23)24)22-17-10-14(20)11-21-18(17)13-5-3-2-4-6-13/h2-11,22H,1H3,(H,23,24)
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Almirall, S.A.

US Patent


Assay Description
Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...


US Patent US8536165 (2013)


BindingDB Entry DOI: 10.7270/Q2C24V2G
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM102454
PNG
(US8536165, 19)
Show SMILES OC(=O)c1cc(ccc1Nc1cnc(-c2ccccc2)c(c1)-c1ccccc1)C1CC1
Show InChI InChI=1S/C27H22N2O2/c30-27(31)24-15-21(18-11-12-18)13-14-25(24)29-22-16-23(19-7-3-1-4-8-19)26(28-17-22)20-9-5-2-6-10-20/h1-10,13-18,29H,11-12H2,(H,30,31)
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Almirall, S.A.

US Patent


Assay Description
Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...


US Patent US8536165 (2013)


BindingDB Entry DOI: 10.7270/Q2C24V2G
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM102455
PNG
(US8536165, 22)
Show SMILES OC(=O)c1cc(ccc1Nc1cnc(nc1)-c1cccc(OC2CC2)c1)C1CC1
Show InChI InChI=1S/C23H21N3O3/c27-23(28)20-11-15(14-4-5-14)6-9-21(20)26-17-12-24-22(25-13-17)16-2-1-3-19(10-16)29-18-7-8-18/h1-3,6,9-14,18,26H,4-5,7-8H2,(H,27,28)
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n/an/a 114n/an/an/an/a8.0n/a



Almirall, S.A.

US Patent


Assay Description
Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...


US Patent US8536165 (2013)


BindingDB Entry DOI: 10.7270/Q2C24V2G
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM102456
PNG
(US8536165, 25)
Show SMILES OC(=O)c1cc(ccc1Nc1cnc(C2CC2)c(c1)-c1ccccc1)C1CC1
Show InChI InChI=1S/C24H22N2O2/c27-24(28)21-12-18(15-6-7-15)10-11-22(21)26-19-13-20(16-4-2-1-3-5-16)23(25-14-19)17-8-9-17/h1-5,10-15,17,26H,6-9H2,(H,27,28)
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Almirall, S.A.

US Patent


Assay Description
Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...


US Patent US8536165 (2013)


BindingDB Entry DOI: 10.7270/Q2C24V2G
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM102457
PNG
(US8536165, 30)
Show SMILES Cc1ccc(Nc2cnc(N3CCCCC3)c(C)c2)c(c1)C(O)=O
Show InChI InChI=1S/C19H23N3O2/c1-13-6-7-17(16(10-13)19(23)24)21-15-11-14(2)18(20-12-15)22-8-4-3-5-9-22/h6-7,10-12,21H,3-5,8-9H2,1-2H3,(H,23,24)
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Almirall, S.A.

US Patent


Assay Description
Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...


US Patent US8536165 (2013)


BindingDB Entry DOI: 10.7270/Q2C24V2G
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM102458
PNG
(US8536165, 31)
Show SMILES Cc1ccc(Nc2cnc(N3CCCCCC3)c(C)c2)c(c1)C(O)=O
Show InChI InChI=1S/C20H25N3O2/c1-14-7-8-18(17(11-14)20(24)25)22-16-12-15(2)19(21-13-16)23-9-5-3-4-6-10-23/h7-8,11-13,22H,3-6,9-10H2,1-2H3,(H,24,25)
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Almirall, S.A.

US Patent


Assay Description
Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...


US Patent US8536165 (2013)


BindingDB Entry DOI: 10.7270/Q2C24V2G
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM102459
PNG
(US8536165, 34)
Show SMILES Cc1ccc(Nc2ccc(nc2)-c2ccncc2Cl)c(c1)C(O)=O
Show InChI InChI=1S/C18H14ClN3O2/c1-11-2-4-17(14(8-11)18(23)24)22-12-3-5-16(21-9-12)13-6-7-20-10-15(13)19/h2-10,22H,1H3,(H,23,24)
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Almirall, S.A.

US Patent


Assay Description
Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...


US Patent US8536165 (2013)


BindingDB Entry DOI: 10.7270/Q2C24V2G
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM102460
PNG
(US8536165, 41)
Show SMILES CCOc1cccc(c1)-c1ccc(Nc2ccc(C)cc2C(O)=O)cn1
Show InChI InChI=1S/C21H20N2O3/c1-3-26-17-6-4-5-15(12-17)19-10-8-16(13-22-19)23-20-9-7-14(2)11-18(20)21(24)25/h4-13,23H,3H2,1-2H3,(H,24,25)
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Almirall, S.A.

US Patent


Assay Description
Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...


US Patent US8536165 (2013)


BindingDB Entry DOI: 10.7270/Q2C24V2G
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM102461
PNG
(US8536165, 42)
Show SMILES CCOc1cccc(c1)-c1ncc(Nc2ccc(C)cc2C(O)=O)cc1C
Show InChI InChI=1S/C22H22N2O3/c1-4-27-18-7-5-6-16(12-18)21-15(3)11-17(13-23-21)24-20-9-8-14(2)10-19(20)22(25)26/h5-13,24H,4H2,1-3H3,(H,25,26)
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Almirall, S.A.

US Patent


Assay Description
Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...


US Patent US8536165 (2013)


BindingDB Entry DOI: 10.7270/Q2C24V2G
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM102462
PNG
(US8536165, 44)
Show SMILES CCOc1cccc(c1)-c1cc(C)c(Nc2ccc(C)cc2C(O)=O)cn1
Show InChI InChI=1S/C22H22N2O3/c1-4-27-17-7-5-6-16(12-17)20-11-15(3)21(13-23-20)24-19-9-8-14(2)10-18(19)22(25)26/h5-13,24H,4H2,1-3H3,(H,25,26)
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Almirall, S.A.

US Patent


Assay Description
Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...


US Patent US8536165 (2013)


BindingDB Entry DOI: 10.7270/Q2C24V2G
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM102463
PNG
(US8536165, 50)
Show SMILES COc1cccc(c1)-c1ncc(Nc2ccc(cc2C(O)=O)C(F)(F)F)cc1C
Show InChI InChI=1S/C21H17F3N2O3/c1-12-8-15(11-25-19(12)13-4-3-5-16(9-13)29-2)26-18-7-6-14(21(22,23)24)10-17(18)20(27)28/h3-11,26H,1-2H3,(H,27,28)
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Almirall, S.A.

US Patent


Assay Description
Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...


US Patent US8536165 (2013)


BindingDB Entry DOI: 10.7270/Q2C24V2G
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM102464
PNG
(US8536165, 51)
Show SMILES COc1cccc(c1)-c1ncc(Nc2ccc(C)cc2C(O)=O)cc1C
Show InChI InChI=1S/C21H20N2O3/c1-13-7-8-19(18(9-13)21(24)25)23-16-10-14(2)20(22-12-16)15-5-4-6-17(11-15)26-3/h4-12,23H,1-3H3,(H,24,25)
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Almirall, S.A.

US Patent


Assay Description
Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...


US Patent US8536165 (2013)


BindingDB Entry DOI: 10.7270/Q2C24V2G
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM102465
PNG
(US8536165, 54)
Show SMILES CCOc1ccc(F)c(c1)-c1ccc(Nc2ccc(C)cc2C(O)=O)cn1
Show InChI InChI=1S/C21H19FN2O3/c1-3-27-15-6-7-18(22)16(11-15)19-9-5-14(12-23-19)24-20-8-4-13(2)10-17(20)21(25)26/h4-12,24H,3H2,1-2H3,(H,25,26)
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n/an/a 19n/an/an/an/a8.0n/a



Almirall, S.A.

US Patent


Assay Description
Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...


US Patent US8536165 (2013)


BindingDB Entry DOI: 10.7270/Q2C24V2G
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM102466
PNG
(US8536165, 56)
Show SMILES Cc1ccc(Nc2ccc(nc2)-c2ccccc2F)c(c1)C(O)=O
Show InChI InChI=1S/C19H15FN2O2/c1-12-6-8-18(15(10-12)19(23)24)22-13-7-9-17(21-11-13)14-4-2-3-5-16(14)20/h2-11,22H,1H3,(H,23,24)
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n/an/a 91n/an/an/an/a8.0n/a



Almirall, S.A.

US Patent


Assay Description
Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...


US Patent US8536165 (2013)


BindingDB Entry DOI: 10.7270/Q2C24V2G
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM102467
PNG
(US8536165, 58)
Show SMILES Cc1ccc(Nc2cnc(c(C)c2)-c2ccccc2)c(c1)C(O)=O
Show InChI InChI=1S/C20H18N2O2/c1-13-8-9-18(17(10-13)20(23)24)22-16-11-14(2)19(21-12-16)15-6-4-3-5-7-15/h3-12,22H,1-2H3,(H,23,24)
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n/an/a 53n/an/an/an/a8.0n/a



Almirall, S.A.

US Patent


Assay Description
Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...


US Patent US8536165 (2013)


BindingDB Entry DOI: 10.7270/Q2C24V2G
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM102468
PNG
(US8536165, 61)
Show SMILES CC(C)Oc1ccc(F)c(c1)-c1ccc(Nc2ccc(C)cc2C(O)=O)cn1
Show InChI InChI=1S/C22H21FN2O3/c1-13(2)28-16-6-7-19(23)17(11-16)20-9-5-15(12-24-20)25-21-8-4-14(3)10-18(21)22(26)27/h4-13,25H,1-3H3,(H,26,27)
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n/an/a 28n/an/an/an/a8.0n/a



Almirall, S.A.

US Patent


Assay Description
Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...


US Patent US8536165 (2013)


BindingDB Entry DOI: 10.7270/Q2C24V2G
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM102469
PNG
(US8536165, 62)
Show SMILES CC(C)Oc1cccc(c1)-c1ncc(Nc2ccc(C)cc2C(O)=O)cc1C
Show InChI InChI=1S/C23H24N2O3/c1-14(2)28-19-7-5-6-17(12-19)22-16(4)11-18(13-24-22)25-21-9-8-15(3)10-20(21)23(26)27/h5-14,25H,1-4H3,(H,26,27)
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n/an/a 11n/an/an/an/a8.0n/a



Almirall, S.A.

US Patent


Assay Description
Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...


US Patent US8536165 (2013)


BindingDB Entry DOI: 10.7270/Q2C24V2G
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM102470
PNG
(US8536165, 64)
Show SMILES Cc1ccc(Nc2cnc(c(C)c2)-c2ccccc2Cl)c(c1)C(O)=O
Show InChI InChI=1S/C20H17ClN2O2/c1-12-7-8-18(16(9-12)20(24)25)23-14-10-13(2)19(22-11-14)15-5-3-4-6-17(15)21/h3-11,23H,1-2H3,(H,24,25)
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n/an/a 14n/an/an/an/a8.0n/a



Almirall, S.A.

US Patent


Assay Description
Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...


US Patent US8536165 (2013)


BindingDB Entry DOI: 10.7270/Q2C24V2G
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM102471
PNG
(US8536165, 65)
Show SMILES Cc1ccc(Nc2cnc(c(C)c2)-c2cccc(c2)C(N)=O)c(c1)C(O)=O
Show InChI InChI=1S/C21H19N3O3/c1-12-6-7-18(17(8-12)21(26)27)24-16-9-13(2)19(23-11-16)14-4-3-5-15(10-14)20(22)25/h3-11,24H,1-2H3,(H2,22,25)(H,26,27)
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n/an/a 190n/an/an/an/a8.0n/a



Almirall, S.A.

US Patent


Assay Description
Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...


US Patent US8536165 (2013)


BindingDB Entry DOI: 10.7270/Q2C24V2G
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM102472
PNG
(US8536165, 66)
Show SMILES COc1ccc(F)c(c1)-c1cc(C)c(Nc2ccc(C)cc2C(O)=O)cn1
Show InChI InChI=1S/C21H19FN2O3/c1-12-4-7-18(16(8-12)21(25)26)24-20-11-23-19(9-13(20)2)15-10-14(27-3)5-6-17(15)22/h4-11,24H,1-3H3,(H,25,26)
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n/an/a 97n/an/an/an/a8.0n/a



Almirall, S.A.

US Patent


Assay Description
Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...


US Patent US8536165 (2013)


BindingDB Entry DOI: 10.7270/Q2C24V2G
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM102473
PNG
(US8536165, 67)
Show SMILES COc1cccc(c1)-c1ncc(Nc2ccc(C)cc2C(O)=O)cc1C(F)(F)F
Show InChI InChI=1S/C21H17F3N2O3/c1-12-6-7-18(16(8-12)20(27)28)26-14-10-17(21(22,23)24)19(25-11-14)13-4-3-5-15(9-13)29-2/h3-11,26H,1-2H3,(H,27,28)
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n/an/a 12n/an/an/an/a8.0n/a



Almirall, S.A.

US Patent


Assay Description
Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...


US Patent US8536165 (2013)


BindingDB Entry DOI: 10.7270/Q2C24V2G
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM102474
PNG
(US8536165, 68)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1ncc(Nc2ccc(C)cc2C(O)=O)cc1C
Show InChI InChI=1S/C23H23N3O3/c1-14-8-9-20(19(10-14)23(28)29)25-18-11-15(2)21(24-13-18)16-6-5-7-17(12-16)22(27)26(3)4/h5-13,25H,1-4H3,(H,28,29)
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n/an/a 33n/an/an/an/a8.0n/a



Almirall, S.A.

US Patent


Assay Description
Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...


US Patent US8536165 (2013)


BindingDB Entry DOI: 10.7270/Q2C24V2G
More data for this
Ligand-Target Pair
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