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Patent code US9006454

Compile Data Set for Download or QSAR
Found 111 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155481
PNG
(US9006454, I123)
Show SMILES Cc1cc(C(O)=O)c2n(C)c(nc2c1)-c1c(F)c(F)c(-c2ccccc2)c(F)c1F |(-7.81,-2.13,;-6.47,-1.36,;-6.47,.18,;-5.14,.95,;-5.14,2.49,;-3.8,3.26,;-6.47,3.26,;-3.8,.18,;-2.34,.65,;-1.57,1.99,;-1.43,-.59,;-2.34,-1.84,;-3.8,-1.36,;-5.14,-2.13,;.11,-.59,;.88,.74,;.11,2.08,;2.42,.74,;3.19,2.08,;3.19,-.59,;4.73,-.59,;5.5,-1.93,;7.04,-1.93,;7.81,-.59,;7.04,.74,;5.5,.74,;2.42,-1.93,;3.19,-3.26,;.88,-1.93,;.11,-3.26,)|
Show InChI InChI=1S/C22H14F4N2O2/c1-10-8-12(22(29)30)20-13(9-10)27-21(28(20)2)15-18(25)16(23)14(17(24)19(15)26)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,29,30)
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n/an/a 3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155498
PNG
(US9006454, I140)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1c(F)c(F)c(c(F)c1F)-c1ccccc1F |(-7.81,-2.13,;-6.47,-1.36,;-6.47,.18,;-5.14,.95,;-5.14,2.49,;-6.47,3.26,;-3.8,3.26,;-3.8,.18,;-2.34,.65,;-1.43,-.59,;-2.34,-1.84,;-3.8,-1.36,;-5.14,-2.13,;.11,-.59,;.88,.74,;.11,2.08,;2.42,.74,;3.19,2.08,;3.19,-.59,;2.42,-1.92,;3.19,-3.26,;.88,-1.92,;.11,-3.26,;4.73,-.59,;5.5,-1.93,;7.04,-1.93,;7.81,-.59,;7.04,.74,;5.5,.74,;4.73,2.08,)|
Show InChI InChI=1S/C21H11F5N2O2/c1-8-6-10(21(29)30)19-12(7-8)27-20(28-19)14-17(25)15(23)13(16(24)18(14)26)9-4-2-3-5-11(9)22/h2-7H,1H3,(H,27,28)(H,29,30)
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n/an/a 3.5n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155440
PNG
(US9006454, I82)
Show SMILES Cc1ccc(C)n1-c1c(F)c(F)c(-c2nc3cc(C)cc(C(O)=O)c3[nH]2)c(F)c1F |(5.22,-3.17,;5.99,-1.84,;7.45,-1.36,;7.45,.18,;5.99,.65,;5.22,1.99,;5.08,-.59,;3.54,-.59,;2.77,.74,;3.54,2.08,;1.23,.74,;.46,2.08,;.46,-.59,;-1.08,-.59,;-1.98,-1.84,;-3.45,-1.36,;-4.78,-2.13,;-6.12,-1.36,;-7.45,-2.13,;-6.12,.18,;-4.78,.95,;-4.78,2.49,;-3.45,3.26,;-6.12,3.26,;-3.45,.18,;-1.98,.65,;1.23,-1.93,;.46,-3.26,;2.77,-1.93,;3.54,-3.26,)|
Show InChI InChI=1S/C21H15F4N3O2/c1-8-6-11(21(29)30)18-12(7-8)26-20(27-18)13-14(22)16(24)19(17(25)15(13)23)28-9(2)4-5-10(28)3/h4-7H,1-3H3,(H,26,27)(H,29,30)
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n/an/a 5.60n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155421
PNG
(US9006454, I41)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1c(F)c(F)c(-c2ccccc2)c(F)c1F
Show InChI InChI=1S/C21H12F4N2O2/c1-9-7-11(21(28)29)19-12(8-9)26-20(27-19)14-17(24)15(22)13(16(23)18(14)25)10-5-3-2-4-6-10/h2-8H,1H3,(H,26,27)(H,28,29)
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n/an/a 6.80n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155484
PNG
(US9006454, I126)
Show SMILES Cc1cc(C(O)=O)c2[nH]c(nc2c1)-c1c(F)c(F)c(-c2cccc(F)c2)c(F)c1F
Show InChI InChI=1S/C21H11F5N2O2/c1-8-5-11(21(29)30)19-12(6-8)27-20(28-19)14-17(25)15(23)13(16(24)18(14)26)9-3-2-4-10(22)7-9/h2-7H,1H3,(H,27,28)(H,29,30)
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n/an/a 8.86n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155462
PNG
(US9006454, I104)
Show SMILES Cc1cc(C(O)=O)c2[nH]c(nc2c1)-c1c(F)c(F)c(-c2cccc(O)c2)c(F)c1F
Show InChI InChI=1S/C21H12F4N2O3/c1-8-5-11(21(29)30)19-12(6-8)26-20(27-19)14-17(24)15(22)13(16(23)18(14)25)9-3-2-4-10(28)7-9/h2-7,28H,1H3,(H,26,27)(H,29,30)
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n/an/a 13.5n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155463
PNG
(US9006454, I105)
Show SMILES Cc1cc(C(O)=O)c2[nH]c(nc2c1)-c1c(F)c(F)c(-c2cccc(OCc3ccccc3)c2)c(F)c1F
Show InChI InChI=1S/C28H18F4N2O3/c1-14-10-18(28(35)36)26-19(11-14)33-27(34-26)21-24(31)22(29)20(23(30)25(21)32)16-8-5-9-17(12-16)37-13-15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,33,34)(H,35,36)
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n/an/a 13.6n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155454
PNG
(US9006454, I96)
Show SMILES Cc1cc(C(O)=O)c2[nH]c(nc2c1)-c1c(F)c(F)c(-c2ccc(O)cc2)c(F)c1F
Show InChI InChI=1S/C21H12F4N2O3/c1-8-6-11(21(29)30)19-12(7-8)26-20(27-19)14-17(24)15(22)13(16(23)18(14)25)9-2-4-10(28)5-3-9/h2-7,28H,1H3,(H,26,27)(H,29,30)
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n/an/a 16n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155489
PNG
(US9006454, I131)
Show SMILES OC(=O)c1cccc2[nH]c(nc12)-c1c(F)c(F)c(c(F)c1F)-c1ccccc1F |(-7.14,3.26,;-5.8,2.49,;-4.47,3.26,;-5.8,.95,;-7.14,.18,;-7.14,-1.36,;-5.8,-2.13,;-4.47,-1.36,;-3.01,-1.84,;-2.1,-.59,;-3.01,.65,;-4.47,.18,;-.56,-.59,;.21,.74,;-.56,2.08,;1.75,.74,;2.52,2.08,;2.52,-.59,;1.75,-1.92,;2.52,-3.26,;.21,-1.92,;-.56,-3.26,;4.06,-.59,;4.83,-1.93,;6.37,-1.93,;7.14,-.59,;6.37,.74,;4.83,.74,;4.06,2.08,)|
Show InChI InChI=1S/C20H9F5N2O2/c21-10-6-2-1-4-8(10)12-14(22)16(24)13(17(25)15(12)23)19-26-11-7-3-5-9(20(28)29)18(11)27-19/h1-7H,(H,26,27)(H,28,29)
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n/an/a 18n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155487
PNG
(US9006454, I129)
Show SMILES OC(=O)c1cccc2[nH]c(nc12)-c1c(F)c(F)c(-c2cc(F)cc(F)c2)c(F)c1F
Show InChI InChI=1S/C20H8F6N2O2/c21-8-4-7(5-9(22)6-8)12-14(23)16(25)13(17(26)15(12)24)19-27-11-3-1-2-10(20(29)30)18(11)28-19/h1-6H,(H,27,28)(H,29,30)
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n/an/a 20n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155504
PNG
(US9006454, I146)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1c(F)c(F)c(-c2cc(F)cc(F)c2)c(F)c1F
Show InChI InChI=1S/C21H10F6N2O2/c1-7-2-11(21(30)31)19-12(3-7)28-20(29-19)14-17(26)15(24)13(16(25)18(14)27)8-4-9(22)6-10(23)5-8/h2-6H,1H3,(H,28,29)(H,30,31)
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n/an/a 21n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155465
PNG
(US9006454, I107)
Show SMILES OC(=O)c1cccc2nc([nH]c12)-c1c(F)c(F)c(-c2cccc(OCc3ccccc3)c2)c(F)c1F
Show InChI InChI=1S/C27H16F4N2O3/c28-21-19(15-8-4-9-16(12-15)36-13-14-6-2-1-3-7-14)22(29)24(31)20(23(21)30)26-32-18-11-5-10-17(27(34)35)25(18)33-26/h1-12H,13H2,(H,32,33)(H,34,35)
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n/an/a 26n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155483
PNG
(US9006454, I125)
Show SMILES OC(=O)c1cccc2nc([nH]c12)-c1c(F)c(F)c(-c2cccc(F)c2)c(F)c1F
Show InChI InChI=1S/C20H9F5N2O2/c21-9-4-1-3-8(7-9)12-14(22)16(24)13(17(25)15(12)23)19-26-11-6-2-5-10(20(28)29)18(11)27-19/h1-7H,(H,26,27)(H,28,29)
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n/an/a 28.2n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155499
PNG
(US9006454, I141)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1c(F)c(F)c(-c2cccnc2)c(F)c1F
Show InChI InChI=1S/C20H11F4N3O2/c1-8-5-10(20(28)29)18-11(6-8)26-19(27-18)13-16(23)14(21)12(15(22)17(13)24)9-3-2-4-25-7-9/h2-7H,1H3,(H,26,27)(H,28,29)
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n/an/a 32n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155411
PNG
(US9006454, I21)
Show SMILES OC(=O)c1cccc2[nH]c(nc12)-c1c(F)c(F)c(-c2ccccc2)c(F)c1F
Show InChI InChI=1S/C20H10F4N2O2/c21-14-12(9-5-2-1-3-6-9)15(22)17(24)13(16(14)23)19-25-11-8-4-7-10(20(27)28)18(11)26-19/h1-8H,(H,25,26)(H,27,28)
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n/an/a 38n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155485
PNG
(US9006454, I127)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1c(F)c(F)c(-c2ccc(OCc3ccccc3)cc2)c(F)c1F
Show InChI InChI=1S/C28H18F4N2O3/c1-14-11-18(28(35)36)26-19(12-14)33-27(34-26)21-24(31)22(29)20(23(30)25(21)32)16-7-9-17(10-8-16)37-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,33,34)(H,35,36)
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n/an/a 48n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155497
PNG
(US9006454, I139)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1c(F)c(F)c(-c2ccsc2)c(F)c1F
Show InChI InChI=1S/C19H10F4N2O2S/c1-7-4-9(19(26)27)17-10(5-7)24-18(25-17)12-15(22)13(20)11(14(21)16(12)23)8-2-3-28-6-8/h2-6H,1H3,(H,24,25)(H,26,27)
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n/an/a 50n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155443
PNG
(US9006454, I85)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1c(F)c(F)c(c(F)c1F)-c1ccc(NC(=O)C2CCCN2)cc1
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n/an/a 56n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155458
PNG
(US9006454, I100)
Show SMILES Cc1cc(C(O)=O)c2[nH]c(nc2c1)-c1c(F)c(F)c(c(F)c1F)-c1ccccc1OCc1ccccc1 |(-7.81,-4.21,;-6.47,-3.44,;-6.47,-1.9,;-5.14,-1.13,;-5.14,.41,;-3.8,1.18,;-6.47,1.18,;-3.8,-1.9,;-2.34,-1.42,;-1.43,-2.67,;-2.34,-3.91,;-3.8,-3.44,;-5.14,-4.21,;.11,-2.67,;.88,-1.33,;.11,,;2.42,-1.33,;3.19,,;3.19,-2.67,;2.42,-4,;3.19,-5.33,;.88,-4,;.11,-5.33,;4.73,-2.67,;5.5,-4,;7.04,-4,;7.81,-2.67,;7.04,-1.33,;5.5,-1.33,;4.73,,;5.5,1.33,;4.73,2.67,;5.5,4,;4.73,5.33,;3.19,5.33,;2.42,4,;3.19,2.67,)|
Show InChI InChI=1S/C28H18F4N2O3/c1-14-11-17(28(35)36)26-18(12-14)33-27(34-26)21-24(31)22(29)20(23(30)25(21)32)16-9-5-6-10-19(16)37-13-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,33,34)(H,35,36)
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Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155452
PNG
(US9006454, I94)
Show SMILES Cc1cc(C(O)=O)c2n(CCO)c(nc2c1)-c1c(F)c(F)c(-c2ccc(O)cc2)c(F)c1F |(-8.58,-2.83,;-7.24,-2.06,;-7.24,-.52,;-5.91,.25,;-5.91,1.79,;-7.24,2.56,;-4.57,2.56,;-4.57,-.52,;-3.11,-.04,;-2.34,1.29,;-3.11,2.62,;-2.34,3.96,;-2.2,-1.29,;-3.11,-2.54,;-4.57,-2.06,;-5.91,-2.83,;-.66,-1.29,;.11,.04,;-.66,1.38,;1.65,.04,;2.42,1.38,;2.42,-1.29,;3.96,-1.29,;4.73,-2.62,;6.27,-2.62,;7.04,-1.29,;8.58,-1.29,;6.27,.04,;4.73,.04,;1.65,-2.62,;2.42,-3.96,;.11,-2.62,;-.66,-3.96,)|
Show InChI InChI=1S/C23H16F4N2O4/c1-10-8-13(23(32)33)21-14(9-10)28-22(29(21)6-7-30)16-19(26)17(24)15(18(25)20(16)27)11-2-4-12(31)5-3-11/h2-5,8-9,30-31H,6-7H2,1H3,(H,32,33)
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Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155441
PNG
(US9006454, I83)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1c(F)c(F)c(-c2ccc(CN3CCCCC3)cc2)c(F)c1F
Show InChI InChI=1S/C27H23F4N3O2/c1-14-11-17(27(35)36)25-18(12-14)32-26(33-25)20-23(30)21(28)19(22(29)24(20)31)16-7-5-15(6-8-16)13-34-9-3-2-4-10-34/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,32,33)(H,35,36)
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Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155468
PNG
(US9006454, I110)
Show SMILES Cc1ccc(C)n1-c1c(F)c(F)c(-c2nc3cccc(C(O)=O)c3[nH]2)c(F)c1F |(4.55,-3.17,;5.32,-1.84,;6.78,-1.36,;6.78,.18,;5.32,.65,;4.55,1.99,;4.41,-.59,;2.87,-.59,;2.1,.74,;2.87,2.08,;.56,.74,;-.21,2.08,;-.21,-.59,;-1.75,-.59,;-2.65,-1.84,;-4.12,-1.36,;-5.45,-2.13,;-6.78,-1.36,;-6.78,.18,;-5.45,.95,;-5.45,2.49,;-4.12,3.26,;-6.78,3.26,;-4.12,.18,;-2.65,.65,;.56,-1.92,;-.21,-3.26,;2.1,-1.92,;2.87,-3.26,)|
Show InChI InChI=1S/C20H13F4N3O2/c1-8-6-7-9(2)27(8)18-15(23)13(21)12(14(22)16(18)24)19-25-11-5-3-4-10(20(28)29)17(11)26-19/h3-7H,1-2H3,(H,25,26)(H,28,29)
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Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155471
PNG
(US9006454, I113)
Show SMILES Cc1cc(C(O)=O)c2nc(-c3c(F)c(F)c(-c4ccccc4)c(F)c3F)n(C)c2c1 |(-7.81,-2.13,;-6.47,-1.36,;-6.47,.18,;-5.14,.95,;-5.14,2.49,;-3.8,3.26,;-6.47,3.26,;-3.8,.18,;-2.34,.65,;-1.43,-.59,;.11,-.59,;.88,.74,;.11,2.08,;2.42,.74,;3.19,2.08,;3.19,-.59,;4.73,-.59,;5.5,-1.93,;7.04,-1.93,;7.81,-.59,;7.04,.74,;5.5,.74,;2.42,-1.92,;3.19,-3.26,;.88,-1.92,;.11,-3.26,;-2.34,-1.84,;-1.57,-3.17,;-3.8,-1.36,;-5.14,-2.13,)|
Show InChI InChI=1S/C22H14F4N2O2/c1-10-8-12(22(29)30)20-13(9-10)28(2)21(27-20)15-18(25)16(23)14(17(24)19(15)26)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,29,30)
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Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155492
PNG
(US9006454, I134)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1c(F)c(F)c(-c2ccc(F)cc2)c(F)c1F
Show InChI InChI=1S/C21H11F5N2O2/c1-8-6-11(21(29)30)19-12(7-8)27-20(28-19)14-17(25)15(23)13(16(24)18(14)26)9-2-4-10(22)5-3-9/h2-7H,1H3,(H,27,28)(H,29,30)
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Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155469
PNG
(US9006454, I111)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1ccc(cc1)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C25H20N4O2/c1-16-11-21(25(30)31)23-22(12-16)27-24(28-23)19-9-7-18(8-10-19)20-13-26-29(15-20)14-17-5-3-2-4-6-17/h2-13,15H,14H2,1H3,(H,27,28)(H,30,31)
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n/an/a 155n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155413
PNG
(US9006454, I25)
Show SMILES Cc1cc(C(O)=O)c2[nH]c(nc2c1)-c1ccc(cc1F)-c1ccccc1F
Show InChI InChI=1S/C21H14F2N2O2/c1-11-8-15(21(26)27)19-18(9-11)24-20(25-19)14-7-6-12(10-17(14)23)13-4-2-3-5-16(13)22/h2-10H,1H3,(H,24,25)(H,26,27)
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Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155425
PNG
(US9006454, I48)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1c(F)cc(cc1F)-c1ccccc1
Show InChI InChI=1S/C21H14F2N2O2/c1-11-7-14(21(26)27)19-17(8-11)24-20(25-19)18-15(22)9-13(10-16(18)23)12-5-3-2-4-6-12/h2-10H,1H3,(H,24,25)(H,26,27)
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n/an/a 177n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155486
PNG
(US9006454, I128)
Show SMILES OC(=O)c1cccc2[nH]c(nc12)-c1c(F)c(F)c(c(F)c1F)-c1cccc(F)c1F |(-7.14,3.26,;-5.8,2.49,;-4.47,3.26,;-5.8,.95,;-7.14,.18,;-7.14,-1.36,;-5.8,-2.13,;-4.47,-1.36,;-3.01,-1.84,;-2.1,-.59,;-3.01,.65,;-4.47,.18,;-.56,-.59,;.21,.74,;-.56,2.08,;1.75,.74,;2.52,2.08,;2.52,-.59,;1.75,-1.92,;2.52,-3.26,;.21,-1.92,;-.56,-3.26,;4.06,-.59,;4.83,-1.93,;6.37,-1.93,;7.14,-.59,;6.37,.74,;7.14,2.08,;4.83,.74,;4.06,2.08,)|
Show InChI InChI=1S/C20H8F6N2O2/c21-9-5-1-3-7(13(9)22)11-14(23)16(25)12(17(26)15(11)24)19-27-10-6-2-4-8(20(29)30)18(10)28-19/h1-6H,(H,27,28)(H,29,30)
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n/an/a 209n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155506
PNG
(US9006454, I148)
Show SMILES OC(=O)c1cccc2[nH]c(nc12)-c1c(F)c(F)c(-c2cccc(OC(F)(F)F)c2)c(F)c1F
Show InChI InChI=1S/C21H9F7N2O3/c22-14-12(8-3-1-4-9(7-8)33-21(26,27)28)15(23)17(25)13(16(14)24)19-29-11-6-2-5-10(20(31)32)18(11)30-19/h1-7H,(H,29,30)(H,31,32)
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n/an/a 218n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155436
PNG
(US9006454, I68)
Show SMILES OC(=O)c1cc(F)cc2[nH]c(nc12)-c1c(F)cc(cc1F)-c1ccccc1
Show InChI InChI=1S/C20H11F3N2O2/c21-12-8-13(20(26)27)18-16(9-12)24-19(25-18)17-14(22)6-11(7-15(17)23)10-4-2-1-3-5-10/h1-9H,(H,24,25)(H,26,27)
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Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155494
PNG
(US9006454, I136)
Show SMILES OC(=O)c1cccc2[nH]c(nc12)-c1c(F)c(F)c(-c2cccnc2)c(F)c1F
Show InChI InChI=1S/C19H9F4N3O2/c20-13-11(8-3-2-6-24-7-8)14(21)16(23)12(15(13)22)18-25-10-5-1-4-9(19(27)28)17(10)26-18/h1-7H,(H,25,26)(H,27,28)
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Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155405
PNG
(US9006454, I14)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H16N2O2/c1-13-11-17(21(24)25)19-18(12-13)22-20(23-19)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,23)(H,24,25)
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n/an/a 304n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155503
PNG
(US9006454, I145)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1c(F)c(F)c(-c2ccc(F)c(F)c2)c(F)c1F
Show InChI InChI=1S/C21H10F6N2O2/c1-7-4-9(21(30)31)19-12(5-7)28-20(29-19)14-17(26)15(24)13(16(25)18(14)27)8-2-3-10(22)11(23)6-8/h2-6H,1H3,(H,28,29)(H,30,31)
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Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155439
PNG
(US9006454, I76)
Show SMILES Cc1cc(C(O)=O)c2[nH]c(nc2c1)-c1ccc(cc1)-c1c(F)cccc1F
Show InChI InChI=1S/C21H14F2N2O2/c1-11-9-14(21(26)27)19-17(10-11)24-20(25-19)13-7-5-12(6-8-13)18-15(22)3-2-4-16(18)23/h2-10H,1H3,(H,24,25)(H,26,27)
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n/an/a 344n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155475
PNG
(US9006454, I117)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C21H16N2O3/c1-12-10-17(21(25)26)19-18(11-12)22-20(23-19)15-4-2-13(3-5-15)14-6-8-16(24)9-7-14/h2-11,24H,1H3,(H,22,23)(H,25,26)
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n/an/a 350n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155399
PNG
(US9006454, I3 | US9006454, I5)
Show SMILES COc1cccc(c1)-c1ccc(-c2nc3c(cccc3[nH]2)C(O)=O)c(F)c1
Show InChI InChI=1S/C21H15FN2O3/c1-27-14-5-2-4-12(10-14)13-8-9-15(17(22)11-13)20-23-18-7-3-6-16(21(25)26)19(18)24-20/h2-11H,1H3,(H,23,24)(H,25,26)
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n/an/a 368n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155414
PNG
(US9006454, I26)
Show SMILES Cc1cc(C(O)=O)c2[nH]c(nc2c1)-c1ccc(cc1)-c1ccccc1F
Show InChI InChI=1S/C21H15FN2O2/c1-12-10-16(21(25)26)19-18(11-12)23-20(24-19)14-8-6-13(7-9-14)15-4-2-3-5-17(15)22/h2-11H,1H3,(H,23,24)(H,25,26)
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Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155490
PNG
(US9006454, I132)
Show SMILES OC(=O)c1cccc2[nH]c(nc12)-c1c(F)c(F)c(-c2ccc(OCc3ccccc3)cc2)c(F)c1F
Show InChI InChI=1S/C27H16F4N2O3/c28-21-19(15-9-11-16(12-10-15)36-13-14-5-2-1-3-6-14)22(29)24(31)20(23(21)30)26-32-18-8-4-7-17(27(34)35)25(18)33-26/h1-12H,13H2,(H,32,33)(H,34,35)
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n/an/a 378n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155479
PNG
(US9006454, I121)
Show SMILES Cc1ccc(C)n1-c1ccc(cc1)-c1nc2cc(C)cc(C(O)=O)c2[nH]1
Show InChI InChI=1S/C21H19N3O2/c1-12-10-17(21(25)26)19-18(11-12)22-20(23-19)15-6-8-16(9-7-15)24-13(2)4-5-14(24)3/h4-11H,1-3H3,(H,22,23)(H,25,26)
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n/an/a 401n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155416
PNG
(US9006454, I28)
Show SMILES Cc1cc(C(O)=O)c2[nH]c(nc2c1)-c1ccc(cc1F)-c1ccccc1
Show InChI InChI=1S/C21H15FN2O2/c1-12-9-16(21(25)26)19-18(10-12)23-20(24-19)15-8-7-14(11-17(15)22)13-5-3-2-4-6-13/h2-11H,1H3,(H,23,24)(H,25,26)
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Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155432
PNG
(US9006454, I59)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C20H15N3O2/c1-12-9-16(20(24)25)18-17(10-12)22-19(23-18)14-6-4-13(5-7-14)15-3-2-8-21-11-15/h2-11H,1H3,(H,22,23)(H,24,25)
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Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155431
PNG
(US9006454, I58)
Show SMILES OC(=O)c1cc(F)cc2[nH]c(nc12)-c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C19H12FN3O2/c20-14-8-15(19(24)25)17-16(9-14)22-18(23-17)12-5-3-11(4-6-12)13-2-1-7-21-10-13/h1-10H,(H,22,23)(H,24,25)
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Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155502
PNG
(US9006454, I144)
Show SMILES OC(=O)c1cccc2[nH]c(nc12)-c1c(F)c(F)c(-c2ccsc2)c(F)c1F
Show InChI InChI=1S/C18H8F4N2O2S/c19-12-10(7-4-5-27-6-7)13(20)15(22)11(14(12)21)17-23-9-3-1-2-8(18(25)26)16(9)24-17/h1-6H,(H,23,24)(H,25,26)
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n/an/a 441n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155460
PNG
(US9006454, I102)
Show SMILES Cc1cc(C(N)=O)c2nc([nH]c2c1)-c1c(F)c(F)c(-c2ccccc2)c(F)c1F
Show InChI InChI=1S/C21H13F4N3O/c1-9-7-11(20(26)29)19-12(8-9)27-21(28-19)14-17(24)15(22)13(16(23)18(14)25)10-5-3-2-4-6-10/h2-8H,1H3,(H2,26,29)(H,27,28)
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Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155406
PNG
(US9006454, I15)
Show SMILES OC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1ccccc1F
Show InChI InChI=1S/C20H13FN2O2/c21-16-6-2-1-4-14(16)12-8-10-13(11-9-12)19-22-17-7-3-5-15(20(24)25)18(17)23-19/h1-11H,(H,22,23)(H,24,25)
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n/an/a 490n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155482
PNG
(US9006454, I124)
Show SMILES OC(=O)c1cccc2nc([nH]c12)-c1c(F)c(F)c(-c2cccs2)c(F)c1F
Show InChI InChI=1S/C18H8F4N2O2S/c19-12-10(9-5-2-6-27-9)13(20)15(22)11(14(12)21)17-23-8-4-1-3-7(18(25)26)16(8)24-17/h1-6H,(H,23,24)(H,25,26)
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Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155401
PNG
(US9006454, I6)
Show SMILES OC(=O)c1cc(Br)cc2[nH]c(nc12)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H13BrN2O2/c21-15-10-16(20(24)25)18-17(11-15)22-19(23-18)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H,22,23)(H,24,25)
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Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155433
PNG
(US9006454, I61)
Show SMILES OC(=O)c1cccc2cc([nH]c12)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H15NO2/c23-21(24)18-8-4-7-17-13-19(22-20(17)18)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-13,22H,(H,23,24)
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Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155399
PNG
(US9006454, I3 | US9006454, I5)
Show SMILES COc1cccc(c1)-c1ccc(-c2nc3c(cccc3[nH]2)C(O)=O)c(F)c1
Show InChI InChI=1S/C21H15FN2O3/c1-27-14-5-2-4-12(10-14)13-8-9-15(17(22)11-13)20-23-18-7-3-6-16(21(25)26)19(18)24-20/h2-11H,1H3,(H,23,24)(H,25,26)
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n/an/a 616n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155417
PNG
(US9006454, I29)
Show SMILES OC(=O)c1cc(F)cc2[nH]c([nH]c12)-c1ccc(cc1F)-c1ccccc1
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Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155449
PNG
(US9006454, I91)
Show SMILES Cc1cc(C(O)=O)c2[nH]c(nc2c1)-c1ccc(cc1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C21H16N2O4/c1-11-8-15(21(26)27)19-16(9-11)22-20(23-19)13-4-2-12(3-5-13)14-6-7-17(24)18(25)10-14/h2-10,24-25H,1H3,(H,22,23)(H,26,27)
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Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155422
PNG
(US9006454, I44)
Show SMILES OC(=O)c1cc(Cl)cc2[nH]c(nc12)-c1ccc(cc1F)-c1ccccc1
Show InChI InChI=1S/C20H12ClFN2O2/c21-13-9-15(20(25)26)18-17(10-13)23-19(24-18)14-7-6-12(8-16(14)22)11-4-2-1-3-5-11/h1-10H,(H,23,24)(H,25,26)
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Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155447
PNG
(US9006454, I89)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1ccc(cc1)-c1ccc(NC(=O)C2CCCN2)cc1
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Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155459
PNG
(US9006454, I101)
Show SMILES OC(=O)c1cccc2nc([nH]c12)-c1c(F)c(F)c(c(F)c1F)-c1ccccc1OCc1ccccc1 |(-4.47,1.18,;-5.8,.41,;-7.14,1.18,;-5.8,-1.13,;-7.14,-1.9,;-7.14,-3.44,;-5.8,-4.21,;-4.47,-3.44,;-3.01,-3.91,;-2.1,-2.67,;-3.01,-1.42,;-4.47,-1.9,;-.56,-2.67,;.21,-1.33,;-.56,,;1.75,-1.33,;2.52,,;2.52,-2.67,;1.75,-4,;2.52,-5.33,;.21,-4,;-.56,-5.33,;4.06,-2.67,;4.83,-4,;6.37,-4,;7.14,-2.67,;6.37,-1.33,;4.83,-1.33,;4.06,,;4.83,1.33,;4.06,2.67,;4.83,4,;4.06,5.33,;2.52,5.33,;1.75,4,;2.52,2.67,)|
Show InChI InChI=1S/C27H16F4N2O3/c28-21-19(15-9-4-5-12-18(15)36-13-14-7-2-1-3-8-14)22(29)24(31)20(23(21)30)26-32-17-11-6-10-16(27(34)35)25(17)33-26/h1-12H,13H2,(H,32,33)(H,34,35)
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n/an/a 707n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155478
PNG
(US9006454, I120)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1ccc(cc1)-c1ccc(OCc2cccnc2)cc1
Show InChI InChI=1S/C27H21N3O3/c1-17-13-23(27(31)32)25-24(14-17)29-26(30-25)21-6-4-19(5-7-21)20-8-10-22(11-9-20)33-16-18-3-2-12-28-15-18/h2-15H,16H2,1H3,(H,29,30)(H,31,32)
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n/an/a 755n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155397
PNG
(US9006454, I1)
Show SMILES OC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H14N2O2/c23-20(24)16-7-4-8-17-18(16)22-19(21-17)15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-12H,(H,21,22)(H,23,24)
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n/an/a 795n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155491
PNG
(US9006454, I133)
Show SMILES OC(=O)c1cccc2[nH]c(nc12)-c1c(F)c(F)c(-c2ccc(F)cc2)c(F)c1F
Show InChI InChI=1S/C20H9F5N2O2/c21-9-6-4-8(5-7-9)12-14(22)16(24)13(17(25)15(12)23)19-26-11-3-1-2-10(20(28)29)18(11)27-19/h1-7H,(H,26,27)(H,28,29)
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n/an/a 808n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155444
PNG
(US9006454, I86)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1c(F)c(F)c(c(F)c1F)-c1cccc(NC(=O)C2CCCN2)c1
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n/an/a 815n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155474
PNG
(US9006454, I116)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1ccc(cc1)-c1cccc(O)c1
Show InChI InChI=1S/C21H16N2O3/c1-12-9-17(21(25)26)19-18(10-12)22-20(23-19)14-7-5-13(6-8-14)15-3-2-4-16(24)11-15/h2-11,24H,1H3,(H,22,23)(H,25,26)
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n/an/a 862n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155427
PNG
(US9006454, I52)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1ccc(cc1)-c1cccc(F)c1F
Show InChI InChI=1S/C21H14F2N2O2/c1-11-9-15(21(26)27)19-17(10-11)24-20(25-19)13-7-5-12(6-8-13)14-3-2-4-16(22)18(14)23/h2-10H,1H3,(H,24,25)(H,26,27)
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n/an/a 898n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155415
PNG
(US9006454, I27)
Show SMILES OC(=O)c1cccc2nc([nH]c12)-c1ccc(cc1F)-c1ccccc1
Show InChI InChI=1S/C20H13FN2O2/c21-16-11-13(12-5-2-1-3-6-12)9-10-14(16)19-22-17-8-4-7-15(20(24)25)18(17)23-19/h1-11H,(H,22,23)(H,24,25)
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n/an/a 922n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155423
PNG
(US9006454, I45)
Show SMILES OC(=O)c1cc(Cl)cc2[nH]c(nc12)-c1ccc(cc1)-c1ccccc1F
Show InChI InChI=1S/C20H12ClFN2O2/c21-13-9-15(20(25)26)18-17(10-13)23-19(24-18)12-7-5-11(6-8-12)14-3-1-2-4-16(14)22/h1-10H,(H,23,24)(H,25,26)
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n/an/a 949n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155412
PNG
(US9006454, I24)
Show SMILES OC(=O)c1cccc2nc([nH]c12)-c1ccc(cc1F)-c1ccccc1F
Show InChI InChI=1S/C20H12F2N2O2/c21-15-6-2-1-4-12(15)11-8-9-13(16(22)10-11)19-23-17-7-3-5-14(20(25)26)18(17)24-19/h1-10H,(H,23,24)(H,25,26)
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n/an/a 965n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155410
PNG
(US9006454, I20)
Show SMILES COc1cc(cc(OC)c1-c1ccccc1)-c1nc2c(cccc2[nH]1)C(O)=O
Show InChI InChI=1S/C22H18N2O4/c1-27-17-11-14(12-18(28-2)19(17)13-7-4-3-5-8-13)21-23-16-10-6-9-15(22(25)26)20(16)24-21/h3-12H,1-2H3,(H,23,24)(H,25,26)
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n/an/a 975n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155420
PNG
(US9006454, I35)
Show SMILES OC(=O)c1cc(Cl)cc2nc([nH]c12)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H13ClN2O2/c21-15-10-16(20(24)25)18-17(11-15)22-19(23-18)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H,22,23)(H,24,25)
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n/an/a 994n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155418
PNG
(US9006454, I31)
Show SMILES Cc1cc(C(O)=O)c2[nH]c(nc2c1)-c1ccc(cc1F)-c1ccc(F)cc1F
Show InChI InChI=1S/C21H13F3N2O2/c1-10-6-15(21(27)28)19-18(7-10)25-20(26-19)14-4-2-11(8-16(14)23)13-5-3-12(22)9-17(13)24/h2-9H,1H3,(H,25,26)(H,27,28)
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n/an/a 1.01E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155500
PNG
(US9006454, I142)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1ccc(cc1)-c1ccc(Oc2ccccc2C=O)cc1
Show InChI InChI=1S/C28H20N2O4/c1-17-14-23(28(32)33)26-24(15-17)29-27(30-26)20-8-6-18(7-9-20)19-10-12-22(13-11-19)34-25-5-3-2-4-21(25)16-31/h2-16H,1H3,(H,29,30)(H,32,33)
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n/an/a 1.05E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155424
PNG
(US9006454, I46)
Show SMILES COc1cc(ccc1-c1nc2c(cc(C)cc2[nH]1)C(O)=O)-c1ccccc1
Show InChI InChI=1S/C22H18N2O3/c1-13-10-17(22(25)26)20-18(11-13)23-21(24-20)16-9-8-15(12-19(16)27-2)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,23,24)(H,25,26)
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n/an/a 1.18E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155473
PNG
(US9006454, I115)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1ccc(cc1)-c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C28H22N2O3/c1-18-14-24(28(31)32)26-25(15-18)29-27(30-26)21-12-10-20(11-13-21)22-8-5-9-23(16-22)33-17-19-6-3-2-4-7-19/h2-16H,17H2,1H3,(H,29,30)(H,31,32)
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n/an/a 1.20E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155461
PNG
(US9006454, I103)
Show SMILES Cc1cc(-c2nnn[nH]2)c2nc([nH]c2c1)-c1c(F)c(F)c(-c2ccccc2)c(F)c1F
Show InChI InChI=1S/C21H12F4N6/c1-9-7-11(20-28-30-31-29-20)19-12(8-9)26-21(27-19)14-17(24)15(22)13(16(23)18(14)25)10-5-3-2-4-6-10/h2-8H,1H3,(H,26,27)(H,28,29,30,31)
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n/an/a 1.20E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155480
PNG
(US9006454, I122)
Show SMILES OC(=O)c1cccn2nc(nc12)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H13N3O2/c23-19(24)16-7-4-12-22-18(16)20-17(21-22)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-12H,(H,23,24)
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n/an/a 1.20E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155488
PNG
(US9006454, I130)
Show SMILES OC(=O)c1cccc2[nH]c(nc12)-c1c(F)c(F)c(-c2ccc(F)c(F)c2)c(F)c1F
Show InChI InChI=1S/C20H8F6N2O2/c21-9-5-4-7(6-10(9)22)12-14(23)16(25)13(17(26)15(12)24)19-27-11-3-1-2-8(20(29)30)18(11)28-19/h1-6H,(H,27,28)(H,29,30)
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n/an/a 1.22E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155501
PNG
(US9006454, I143)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1ccc(cc1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C28H22N2O3/c1-18-15-24(28(31)32)26-25(16-18)29-27(30-26)22-9-7-20(8-10-22)21-11-13-23(14-12-21)33-17-19-5-3-2-4-6-19/h2-16H,17H2,1H3,(H,29,30)(H,31,32)
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n/an/a 1.23E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155408
PNG
(US9006454, I18)
Show SMILES OC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C21H13F3N2O3/c22-21(23,24)29-15-4-1-3-14(11-15)12-7-9-13(10-8-12)19-25-17-6-2-5-16(20(27)28)18(17)26-19/h1-11H,(H,25,26)(H,27,28)
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n/an/a 1.26E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155476
PNG
(US9006454, I118)
Show SMILES OC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C27H20N2O3/c30-27(31)23-10-5-11-24-25(23)29-26(28-24)20-14-12-19(13-15-20)21-8-4-9-22(16-21)32-17-18-6-2-1-3-7-18/h1-16H,17H2,(H,28,29)(H,30,31)
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n/an/a 1.30E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155419
PNG
(US9006454, I33)
Show SMILES Cc1cc(C(O)=O)c2[nH]c(nc2c1)-c1ccc(cc1)-c1ccc(F)cc1F
Show InChI InChI=1S/C21H14F2N2O2/c1-11-8-16(21(26)27)19-18(9-11)24-20(25-19)13-4-2-12(3-5-13)15-7-6-14(22)10-17(15)23/h2-10H,1H3,(H,24,25)(H,26,27)
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n/an/a 1.42E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155464
PNG
(US9006454, I106)
Show SMILES Cc1cc(C(O)=O)c2[nH]c(nc2c1)-c1ccc(cc1)-c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C28H22N2O3/c1-18-15-23(28(31)32)26-24(16-18)29-27(30-26)21-13-11-20(12-14-21)22-9-5-6-10-25(22)33-17-19-7-3-2-4-8-19/h2-16H,17H2,1H3,(H,29,30)(H,31,32)
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n/an/a 1.50E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155430
PNG
(US9006454, I56)
Show SMILES OC(=O)c1cccc2[nH]c(nc12)-c1ccc(Oc2c(F)cccc2F)cc1
Show InChI InChI=1S/C20H12F2N2O3/c21-14-4-2-5-15(22)18(14)27-12-9-7-11(8-10-12)19-23-16-6-1-3-13(20(25)26)17(16)24-19/h1-10H,(H,23,24)(H,25,26)
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n/an/a 1.57E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155493
PNG
(US9006454, I135)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1ccc(cc1)-c1ccc(Oc2ccc(C=O)cc2)cc1
Show InChI InChI=1S/C28H20N2O4/c1-17-14-24(28(32)33)26-25(15-17)29-27(30-26)21-6-4-19(5-7-21)20-8-12-23(13-9-20)34-22-10-2-18(16-31)3-11-22/h2-16H,1H3,(H,29,30)(H,32,33)
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n/an/a 1.59E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155402
PNG
(US9006454, I8)
Show SMILES Cn1c(nc2cccc(C(O)=O)c12)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H16N2O2/c1-23-19-17(21(24)25)8-5-9-18(19)22-20(23)16-12-10-15(11-13-16)14-6-3-2-4-7-14/h2-13H,1H3,(H,24,25)
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n/an/a 1.60E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155446
PNG
(US9006454, I88)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1ccc(cc1)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H31N3O3/c1-20-18-25(29(33)34)27-26(19-20)30-28(31-27)23-8-6-21(7-9-23)22-10-12-24(13-11-22)35-17-5-16-32-14-3-2-4-15-32/h6-13,18-19H,2-5,14-17H2,1H3,(H,30,31)(H,33,34)
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n/an/a 1.63E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155467
PNG
(US9006454, I109)
Show SMILES Cc1cc(C#N)c2nc([nH]c2c1)-c1c(F)c(F)c(-c2ccccc2)c(F)c1F
Show InChI InChI=1S/C21H11F4N3/c1-10-7-12(9-26)20-13(8-10)27-21(28-20)15-18(24)16(22)14(17(23)19(15)25)11-5-3-2-4-6-11/h2-8H,1H3,(H,27,28)
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n/an/a 1.65E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155507
PNG
(US9006454, I149)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C19H14N2O2S/c1-11-9-14(19(22)23)17-15(10-11)20-18(21-17)13-6-4-12(5-7-13)16-3-2-8-24-16/h2-10H,1H3,(H,20,21)(H,22,23)
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n/an/a 1.68E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155472
PNG
(US9006454, I114)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1ccc(cc1)-c1ccc(OCc2ccncc2)cc1
Show InChI InChI=1S/C27H21N3O3/c1-17-14-23(27(31)32)25-24(15-17)29-26(30-25)21-4-2-19(3-5-21)20-6-8-22(9-7-20)33-16-18-10-12-28-13-11-18/h2-15H,16H2,1H3,(H,29,30)(H,31,32)
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n/an/a 1.73E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155434
PNG
(US9006454, I65)
Show SMILES OC(=O)c1cccc2nc([nH]c12)-c1ccc(cc1)-c1c(F)cccc1F
Show InChI InChI=1S/C20H12F2N2O2/c21-14-4-2-5-15(22)17(14)11-7-9-12(10-8-11)19-23-16-6-1-3-13(20(25)26)18(16)24-19/h1-10H,(H,23,24)(H,25,26)
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n/an/a 1.84E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155470
PNG
(US9006454, I112)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1ccc(cc1)-c1ccc(Oc2ccccc2C#N)cc1
Show InChI InChI=1S/C28H19N3O3/c1-17-14-23(28(32)33)26-24(15-17)30-27(31-26)20-8-6-18(7-9-20)19-10-12-22(13-11-19)34-25-5-3-2-4-21(25)16-29/h2-15H,1H3,(H,30,31)(H,32,33)
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n/an/a 2.03E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155455
PNG
(US9006454, I97)
Show SMILES Cc1cc(C(O)=O)c2n(CCO)c(nc2c1)-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C23H20N2O4/c1-14-12-19(23(28)29)21-20(13-14)24-22(25(21)10-11-26)17-4-2-15(3-5-17)16-6-8-18(27)9-7-16/h2-9,12-13,26-27H,10-11H2,1H3,(H,28,29)
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n/an/a 2.15E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155456
PNG
(US9006454, I98)
Show SMILES CONC(=O)c1cc(C)cc2nc([nH]c12)-c1c(F)c(F)c(-c2ccccc2)c(F)c1F
Show InChI InChI=1S/C22H15F4N3O2/c1-10-8-12(22(30)29-31-2)20-13(9-10)27-21(28-20)15-18(25)16(23)14(17(24)19(15)26)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,27,28)(H,29,30)
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n/an/a 2.20E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155477
PNG
(US9006454, I119)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1ccc(cc1)-c1ccc(OCc2ccccn2)cc1
Show InChI InChI=1S/C27H21N3O3/c1-17-14-23(27(31)32)25-24(15-17)29-26(30-25)20-7-5-18(6-8-20)19-9-11-22(12-10-19)33-16-21-4-2-3-13-28-21/h2-15H,16H2,1H3,(H,29,30)(H,31,32)
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n/an/a 2.23E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155495
PNG
(US9006454, I137)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1ccc(cc1)-c1ccc(Oc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C28H20N2O5/c1-16-14-22(28(33)34)25-23(15-16)29-26(30-25)19-8-6-17(7-9-19)18-10-12-20(13-11-18)35-24-5-3-2-4-21(24)27(31)32/h2-15H,1H3,(H,29,30)(H,31,32)(H,33,34)
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n/an/a 2.24E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155426
PNG
(US9006454, I51)
Show SMILES OC(=O)c1cc(Cl)cc2CC(=Nc12)c1ccc(cc1)-c1ccccc1 |c:10|
Show InChI InChI=1S/C21H14ClNO2/c22-17-10-16-11-19(23-20(16)18(12-17)21(24)25)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-10,12H,11H2,(H,24,25)
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n/an/a 2.32E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155404
PNG
(US9006454, I10)
Show SMILES OC(=O)c1cccc2[nH]c(nc12)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C20H14N2O3/c23-20(24)16-7-4-8-17-18(16)22-19(21-17)13-9-11-15(12-10-13)25-14-5-2-1-3-6-14/h1-12H,(H,21,22)(H,23,24)
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n/an/a 2.87E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155445
PNG
(US9006454, I87)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1ccc(cc1)-c1ccc(OCCCN2CCOCC2)cc1
Show InChI InChI=1S/C28H29N3O4/c1-19-17-24(28(32)33)26-25(18-19)29-27(30-26)22-5-3-20(4-6-22)21-7-9-23(10-8-21)35-14-2-11-31-12-15-34-16-13-31/h3-10,17-18H,2,11-16H2,1H3,(H,29,30)(H,32,33)
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n/an/a 3.02E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155409
PNG
(US9006454, I19)
Show SMILES OC(=O)c1cccc2nc(oc12)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H13NO3/c22-20(23)16-7-4-8-17-18(16)24-19(21-17)15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-12H,(H,22,23)
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n/an/a 3.03E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155457
PNG
(US9006454, I99)
Show SMILES Cc1cc(C(O)=O)c2[nH]c(nc2c1)-c1ccc(cc1)-c1ccc(OCCO)cc1
Show InChI InChI=1S/C23H20N2O4/c1-14-12-19(23(27)28)21-20(13-14)24-22(25-21)17-4-2-15(3-5-17)16-6-8-18(9-7-16)29-11-10-26/h2-9,12-13,26H,10-11H2,1H3,(H,24,25)(H,27,28)
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n/an/a 3.10E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155435
PNG
(US9006454, I67)
Show SMILES Cc1cc(C(O)=O)c2[nH]c(nc2c1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C21H16N2O3/c1-13-11-17(21(24)25)19-18(12-13)22-20(23-19)14-7-9-16(10-8-14)26-15-5-3-2-4-6-15/h2-12H,1H3,(H,22,23)(H,24,25)
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n/an/a 3.41E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155448
PNG
(US9006454, I90)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1ccc(cc1)-c1ccc(NC(=O)C2CCNCC2)cc1
Show InChI InChI=1S/C27H26N4O3/c1-16-14-22(27(33)34)24-23(15-16)30-25(31-24)19-4-2-17(3-5-19)18-6-8-21(9-7-18)29-26(32)20-10-12-28-13-11-20/h2-9,14-15,20,28H,10-13H2,1H3,(H,29,32)(H,30,31)(H,33,34)
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n/an/a 3.69E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155407
PNG
(US9006454, I17)
Show SMILES OC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1cccc(F)c1
Show InChI InChI=1S/C20H13FN2O2/c21-15-4-1-3-14(11-15)12-7-9-13(10-8-12)19-22-17-6-2-5-16(20(24)25)18(17)23-19/h1-11H,(H,22,23)(H,24,25)
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n/an/a 3.79E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155496
PNG
(US9006454, I138)
Show SMILES OC(=O)c1cccn2cc(nc12)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H14N2O2/c23-20(24)17-7-4-12-22-13-18(21-19(17)22)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-13H,(H,23,24)
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n/an/a 3.80E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155438
PNG
(US9006454, I75)
Show SMILES Cc1cc(C(O)=O)c2[nH]c(nc2c1)-c1ccc(nc1)-c1ccccc1
Show InChI InChI=1S/C20H15N3O2/c1-12-9-15(20(24)25)18-17(10-12)22-19(23-18)14-7-8-16(21-11-14)13-5-3-2-4-6-13/h2-11H,1H3,(H,22,23)(H,24,25)
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n/an/a 3.82E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155437
PNG
(US9006454, I71)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1ccc(Oc2ccccn2)cc1
Show InChI InChI=1S/C20H15N3O3/c1-12-10-15(20(24)25)18-16(11-12)22-19(23-18)13-5-7-14(8-6-13)26-17-4-2-3-9-21-17/h2-11H,1H3,(H,22,23)(H,24,25)
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n/an/a 4.38E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155451
PNG
(US9006454, I93)
Show SMILES Cc1cc(C(O)=O)c2nc(-c3ccc(cc3)-c3ccccc3)n(CCO)c2c1
Show InChI InChI=1S/C23H20N2O3/c1-15-13-19(23(27)28)21-20(14-15)25(11-12-26)22(24-21)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-10,13-14,26H,11-12H2,1H3,(H,27,28)
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n/an/a 4.79E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155398
PNG
(US9006454, I2)
Show SMILES OC(=O)c1cccc2[nH]c(nc12)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C21H16N2O3/c24-21(25)17-7-4-8-18-19(17)23-20(22-18)15-9-11-16(12-10-15)26-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,23)(H,24,25)
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n/an/a 4.95E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155453
PNG
(US9006454, I95)
Show SMILES Cc1cc(C(O)=O)c2[nH]c(nc2c1)-c1ccc(cc1)-c1ccc(OCCC2CCNCC2)cc1
Show InChI InChI=1S/C28H29N3O3/c1-18-16-24(28(32)33)26-25(17-18)30-27(31-26)22-4-2-20(3-5-22)21-6-8-23(9-7-21)34-15-12-19-10-13-29-14-11-19/h2-9,16-17,19,29H,10-15H2,1H3,(H,30,31)(H,32,33)
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n/an/a 6.01E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155450
PNG
(US9006454, I92)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1ccc(cc1)-c1ccc(cc1)C(=O)NC1CCNCC1
Show InChI InChI=1S/C27H26N4O3/c1-16-14-22(27(33)34)24-23(15-16)30-25(31-24)19-6-2-17(3-7-19)18-4-8-20(9-5-18)26(32)29-21-10-12-28-13-11-21/h2-9,14-15,21,28H,10-13H2,1H3,(H,29,32)(H,30,31)(H,33,34)
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n/an/a 6.64E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155428
PNG
(US9006454, I53)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1ccc(cn1)-c1ccccc1
Show InChI InChI=1S/C20H15N3O2/c1-12-9-15(20(24)25)18-17(10-12)22-19(23-18)16-8-7-14(11-21-16)13-5-3-2-4-6-13/h2-11H,1H3,(H,22,23)(H,24,25)
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n/an/a 7.07E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155403
PNG
(US9006454, I9)
Show SMILES OC(=O)c1cccc2[nH]c(nc12)-c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C20H14N2O3/c23-20(24)16-10-5-11-17-18(16)22-19(21-17)13-6-4-9-15(12-13)25-14-7-2-1-3-8-14/h1-12H,(H,21,22)(H,23,24)
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n/an/a 7.20E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155505
PNG
(US9006454, I147)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)-c1ccc(cc1)-c1cnccn1
Show InChI InChI=1S/C19H14N4O2/c1-11-8-14(19(24)25)17-15(9-11)22-18(23-17)13-4-2-12(3-5-13)16-10-20-6-7-21-16/h2-10H,1H3,(H,22,23)(H,24,25)
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n/an/a 8.45E+3n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155442
PNG
(US9006454, I84)
Show SMILES Cc1cc(C(O)=O)c2nc([nH]c2c1)C#Cc1ccccc1
Show InChI InChI=1S/C17H12N2O2/c1-11-9-13(17(20)21)16-14(10-11)18-15(19-16)8-7-12-5-3-2-4-6-12/h2-6,9-10H,1H3,(H,18,19)(H,20,21)
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n/an/a 1.14E+4n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155466
PNG
(US9006454, I108)
Show SMILES Nc1nnc(s1)-c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H15N5S/c22-21-26-25-20(27-21)16-7-4-8-17-18(16)24-19(23-17)15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-12H,(H2,22,26)(H,23,24)
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n/an/a 1.59E+4n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM155429
PNG
(US9006454, I55)
Show SMILES OC(=O)c1cccc2[nH]c(nc12)-c1ccc(Nc2ccccc2)cc1
Show InChI InChI=1S/C20H15N3O2/c24-20(25)16-7-4-8-17-18(16)23-19(22-17)13-9-11-15(12-10-13)21-14-5-2-1-3-6-14/h1-12,21H,(H,22,23)(H,24,25)
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n/an/a 2.71E+4n/an/an/an/a8.0n/a



Merck Serono S.A.

US Patent


Assay Description
The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent...


US Patent US9006454 (2015)


BindingDB Entry DOI: 10.7270/Q2125RCJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%