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Patent code US11028054

Compile Data Set for Download or QSAR
Found 35 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM501656
PNG
(US11028054, Example 46)
Show SMILES Cc1nc2c(cc(cc2[nH]1)-c1ccc(cc1)-c1ccccc1CN1CCCC1)C(O)=O
Show InChI InChI=1S/C26H25N3O2/c1-17-27-24-15-21(14-23(26(30)31)25(24)28-17)18-8-10-19(11-9-18)22-7-3-2-6-20(22)16-29-12-4-5-13-29/h2-3,6-11,14-15H,4-5,12-13,16H2,1H3,(H,27,28)(H,30,31)
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US Patent


Assay Description
Reagents used: L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic ...


US Patent US11028054 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM501660
PNG
(US11028054, Example 57)
Show SMILES Cc1nc2c(cc(cc2[nH]1)-c1c(F)c(F)c(-c2cccc(CO)c2)c(F)c1F)C(O)=O
Show InChI InChI=1S/C22H14F4N2O3/c1-9-27-14-7-12(6-13(22(30)31)21(14)28-9)16-19(25)17(23)15(18(24)20(16)26)11-4-2-3-10(5-11)8-29/h2-7,29H,8H2,1H3,(H,27,28)(H,30,31)
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US Patent


Assay Description
Reagents used: L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic ...


US Patent US11028054 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM501658
PNG
(US11028054, Example 53)
Show SMILES Cc1nc2c(cc(cc2[nH]1)-c1c(F)c(F)c(c(F)c1F)-c1ccccc1CN1CCCCC1)C(O)=O
Show InChI InChI=1S/C27H23F4N3O2/c1-14-32-19-12-16(11-18(27(35)36)26(19)33-14)20-22(28)24(30)21(25(31)23(20)29)17-8-4-3-7-15(17)13-34-9-5-2-6-10-34/h3-4,7-8,11-12H,2,5-6,9-10,13H2,1H3,(H,32,33)(H,35,36)
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US Patent


Assay Description
Reagents used: L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic ...


US Patent US11028054 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM501674
PNG
(US11028054, Example 150)
Show SMILES Cc1nc2c(cc(cc2[nH]1)-c1ccc(cc1)-c1c(F)cccc1CN1CCCC1)C(O)=O
Show InChI InChI=1S/C26H24FN3O2/c1-16-28-23-14-20(13-21(26(31)32)25(23)29-16)17-7-9-18(10-8-17)24-19(5-4-6-22(24)27)15-30-11-2-3-12-30/h4-10,13-14H,2-3,11-12,15H2,1H3,(H,28,29)(H,31,32)
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US Patent


Assay Description
Reagents used: L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic ...


US Patent US11028054 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM501666
PNG
(US11028054, Example 65)
Show SMILES Cc1nc2c(cc(cc2[nH]1)-c1c(F)c(F)c(-c2ccc(CN3CCS(=O)(=O)CC3)cc2)c(F)c1F)C(O)=O
Show InChI InChI=1S/C26H21F4N3O4S/c1-13-31-18-11-16(10-17(26(34)35)25(18)32-13)20-23(29)21(27)19(22(28)24(20)30)15-4-2-14(3-5-15)12-33-6-8-38(36,37)9-7-33/h2-5,10-11H,6-9,12H2,1H3,(H,31,32)(H,34,35)
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US Patent


Assay Description
Reagents used: L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic ...


US Patent US11028054 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM501659
PNG
(US11028054, Example 56)
Show SMILES Cc1nc2c(cc(cc2[nH]1)-c1c(F)c(F)c(-c2cccc(CN3CCCCC3)c2)c(F)c1F)C(O)=O
Show InChI InChI=1S/C27H23F4N3O2/c1-14-32-19-12-17(11-18(27(35)36)26(19)33-14)21-24(30)22(28)20(23(29)25(21)31)16-7-5-6-15(10-16)13-34-8-3-2-4-9-34/h5-7,10-12H,2-4,8-9,13H2,1H3,(H,32,33)(H,35,36)
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US Patent


Assay Description
Reagents used: L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic ...


US Patent US11028054 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM501657
PNG
(US11028054, Example 52)
Show SMILES Cc1nc2c(cc(cc2[nH]1)-c1c(F)c(F)c(-c2ccccc2)c(F)c1F)C(O)=O
Show InChI InChI=1S/C21H12F4N2O2/c1-9-26-13-8-11(7-12(21(28)29)20(13)27-9)15-18(24)16(22)14(17(23)19(15)25)10-5-3-2-4-6-10/h2-8H,1H3,(H,26,27)(H,28,29)
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US Patent


Assay Description
Reagents used: L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic ...


US Patent US11028054 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM501672
PNG
(US11028054, Example 117)
Show SMILES Cc1nc2c(cc(cc2[nH]1)-c1ccc(cc1)-c1ccccc1CN1CC[C@@H](F)C1)C(O)=O
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US Patent


Assay Description
Reagents used: L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic ...


US Patent US11028054 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM501663
PNG
(US11028054, Example 61)
Show SMILES Cc1nc2c(cc(cc2[nH]1)-c1c(F)c(F)c(-c2ccc(CN3CCCCC3)cc2)c(F)c1F)C(O)=O
Show InChI InChI=1S/C27H23F4N3O2/c1-14-32-19-12-17(11-18(27(35)36)26(19)33-14)21-24(30)22(28)20(23(29)25(21)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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US Patent


Assay Description
Reagents used: L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic ...


US Patent US11028054 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM501671
PNG
(US11028054, Example 111)
Show SMILES Cc1nc2c(cc(cc2[nH]1)-c1ccc(cc1)-n1c(C)ccc1C)C(O)=O
Show InChI InChI=1S/C21H19N3O2/c1-12-4-5-13(2)24(12)17-8-6-15(7-9-17)16-10-18(21(25)26)20-19(11-16)22-14(3)23-20/h4-11H,1-3H3,(H,22,23)(H,25,26)
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US Patent


Assay Description
Reagents used: L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic ...


US Patent US11028054 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM501662
PNG
(US11028054, Example 60)
Show SMILES Cc1nc2c(cc(cc2[nH]1)-c1c(F)c(F)c(c(F)c1F)-c1cccc(CNC2CC2)c1)C(O)=O
Show InChI InChI=1S/C25H19F4N3O2/c1-11-31-17-9-14(8-16(25(33)34)24(17)32-11)19-22(28)20(26)18(21(27)23(19)29)13-4-2-3-12(7-13)10-30-15-5-6-15/h2-4,7-9,15,30H,5-6,10H2,1H3,(H,31,32)(H,33,34)
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US Patent


Assay Description
Reagents used: L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic ...


US Patent US11028054 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM501668
PNG
(US11028054, Example 69)
Show SMILES Cc1nc2c(cc(cc2[nH]1)-c1ccc(OCc2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C22H18N2O3/c1-14-23-20-12-17(11-19(22(25)26)21(20)24-14)16-7-9-18(10-8-16)27-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,23,24)(H,25,26)
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US Patent


Assay Description
Reagents used: L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic ...


US Patent US11028054 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM501667
PNG
(US11028054, Example 67)
Show SMILES Cc1nc2c(cc(cc2[nH]1)-c1c(F)c(F)c(c(F)c1F)-n1c(C)ccc1C)C(O)=O
Show InChI InChI=1S/C21H15F4N3O2/c1-8-4-5-9(2)28(8)20-17(24)15(22)14(16(23)18(20)25)11-6-12(21(29)30)19-13(7-11)26-10(3)27-19/h4-7H,1-3H3,(H,26,27)(H,29,30)
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US Patent


Assay Description
Reagents used: L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic ...


US Patent US11028054 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM501665
PNG
(US11028054, Example 64)
Show SMILES Cc1nc2c(cc(cc2[nH]1)-c1c(F)c(F)c(-c2ccc(CN3CCCC(F)(F)C3)cc2)c(F)c1F)C(O)=O
Show InChI InChI=1S/C27H21F6N3O2/c1-13-34-18-10-16(9-17(26(37)38)25(18)35-13)20-23(30)21(28)19(22(29)24(20)31)15-5-3-14(4-6-15)11-36-8-2-7-27(32,33)12-36/h3-6,9-10H,2,7-8,11-12H2,1H3,(H,34,35)(H,37,38)
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Assay Description
Reagents used: L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic ...


US Patent US11028054 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM501651
PNG
(US11028054, Example 25)
Show SMILES Cc1nc2c(cc(cc2[nH]1)-c1ccc(cc1)-c1cccc(C)c1)C(O)=O
Show InChI InChI=1S/C22H18N2O2/c1-13-4-3-5-17(10-13)15-6-8-16(9-7-15)18-11-19(22(25)26)21-20(12-18)23-14(2)24-21/h3-12H,1-2H3,(H,23,24)(H,25,26)
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US Patent


Assay Description
Reagents used: L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic ...


US Patent US11028054 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM501650
PNG
(US11028054, Example 23)
Show SMILES Cc1nc2c(cc(cc2[nH]1)-c1ccc(cc1)-c1ccccc1O)C(O)=O
Show InChI InChI=1S/C21H16N2O3/c1-12-22-18-11-15(10-17(21(25)26)20(18)23-12)13-6-8-14(9-7-13)16-4-2-3-5-19(16)24/h2-11,24H,1H3,(H,22,23)(H,25,26)
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US Patent


Assay Description
Reagents used: L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic ...


US Patent US11028054 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM501652
PNG
(US11028054, Example 36)
Show SMILES Cc1nc2c(cc(cc2[nH]1)-c1ccc(cc1)-c1cccc(CN2CCS(=O)(=O)CC2)c1)C(O)=O
Show InChI InChI=1S/C26H25N3O4S/c1-17-27-24-15-22(14-23(26(30)31)25(24)28-17)20-7-5-19(6-8-20)21-4-2-3-18(13-21)16-29-9-11-34(32,33)12-10-29/h2-8,13-15H,9-12,16H2,1H3,(H,27,28)(H,30,31)
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Assay Description
Reagents used: L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic ...


US Patent US11028054 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM501649
PNG
(US11028054, Example 21)
Show SMILES COc1cccc(-c2ccc(cc2)-c2cc(C(O)=O)c3nc(C)[nH]c3c2)c1F
Show InChI InChI=1S/C22H17FN2O3/c1-12-24-18-11-15(10-17(22(26)27)21(18)25-12)13-6-8-14(9-7-13)16-4-3-5-19(28-2)20(16)23/h3-11H,1-2H3,(H,24,25)(H,26,27)
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US Patent


Assay Description
Reagents used: L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic ...


US Patent US11028054 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM501645
PNG
(US11028054, Example 16)
Show SMILES Cc1nc2c(cc(cc2[nH]1)-c1ccc(cc1)-c1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C21H16N2O3/c1-12-22-19-11-16(10-18(21(25)26)20(19)23-12)14-7-5-13(6-8-14)15-3-2-4-17(24)9-15/h2-11,24H,1H3,(H,22,23)(H,25,26)
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US Patent


Assay Description
Reagents used: L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic ...


US Patent US11028054 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM501643
PNG
(US11028054, Example 10)
Show SMILES COc1cccc(c1)-c1ccc(cc1)-c1cc(C(O)=O)c2nc(C)[nH]c2c1
Show InChI InChI=1S/C22H18N2O3/c1-13-23-20-12-17(11-19(22(25)26)21(20)24-13)15-8-6-14(7-9-15)16-4-3-5-18(10-16)27-2/h3-12H,1-2H3,(H,23,24)(H,25,26)
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Merck Patent GmbH

US Patent


Assay Description
Reagents used: L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic ...


US Patent US11028054 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM501642
PNG
(US11028054, Example 5)
Show SMILES Cc1nc2c(cc(cc2[nH]1)-c1ccc(cc1)-c1ccccc1F)C(O)=O
Show InChI InChI=1S/C21H15FN2O2/c1-12-23-19-11-15(10-17(21(25)26)20(19)24-12)13-6-8-14(9-7-13)16-4-2-3-5-18(16)22/h2-11H,1H3,(H,23,24)(H,25,26)
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Merck Patent GmbH

US Patent


Assay Description
Reagents used: L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic ...


US Patent US11028054 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM501670
PNG
(US11028054, Example 90)
Show SMILES Cc1nc2c(cc(cc2[nH]1)-c1ccc(cc1)-c1cccc(CO)c1)C(O)=O
Show InChI InChI=1S/C22H18N2O3/c1-13-23-20-11-18(10-19(22(26)27)21(20)24-13)16-7-5-15(6-8-16)17-4-2-3-14(9-17)12-25/h2-11,25H,12H2,1H3,(H,23,24)(H,26,27)
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Assay Description
Reagents used: L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic ...


US Patent US11028054 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM501664
PNG
(US11028054, Example 62)
Show SMILES Cc1nc2c(cc(cc2[nH]1)-c1c(F)c(F)c(-c2ccc(CN3CCCC3)cc2)c(F)c1F)C(O)=O
Show InChI InChI=1S/C26H21F4N3O2/c1-13-31-18-11-16(10-17(26(34)35)25(18)32-13)20-23(29)21(27)19(22(28)24(20)30)15-6-4-14(5-7-15)12-33-8-2-3-9-33/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,31,32)(H,34,35)
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Assay Description
Reagents used: L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic ...


US Patent US11028054 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM501646
PNG
(US11028054, Example 17)
Show SMILES Cc1nc2c(cc(cc2[nH]1)-c1ccc(cc1)-c1ccccc1OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C28H22N2O3/c1-18-29-25-16-22(15-24(28(31)32)27(25)30-18)20-11-13-21(14-12-20)23-9-5-6-10-26(23)33-17-19-7-3-2-4-8-19/h2-16H,17H2,1H3,(H,29,30)(H,31,32)
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Assay Description
Reagents used: L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic ...


US Patent US11028054 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM501639
PNG
(US11028054, Example 1)
Show SMILES Cc1nc2c(cc(cc2[nH]1)-c1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H16N2O2/c1-13-22-19-12-17(11-18(21(24)25)20(19)23-13)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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Assay Description
Reagents used: L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic ...


US Patent US11028054 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM501673
PNG
(US11028054, Example 145)
Show SMILES Cc1nc2c(cc(cc2[nH]1)-c1ccc(cc1)-c1c(C)cccc1C)C(O)=O
Show InChI InChI=1S/C23H20N2O2/c1-13-5-4-6-14(2)21(13)17-9-7-16(8-10-17)18-11-19(23(26)27)22-20(12-18)24-15(3)25-22/h4-12H,1-3H3,(H,24,25)(H,26,27)
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Assay Description
Reagents used: L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic ...


US Patent US11028054 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM501655
PNG
(US11028054, Example 45)
Show SMILES Cc1nc2c(cc(cc2[nH]1)-c1ccc(cc1)-c1ccccc1CN1CCOCC1)C(O)=O
Show InChI InChI=1S/C26H25N3O3/c1-17-27-24-15-21(14-23(26(30)31)25(24)28-17)18-6-8-19(9-7-18)22-5-3-2-4-20(22)16-29-10-12-32-13-11-29/h2-9,14-15H,10-13,16H2,1H3,(H,27,28)(H,30,31)
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Assay Description
Reagents used: L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic ...


US Patent US11028054 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM501648
PNG
(US11028054, Example 20)
Show SMILES Cc1nc2c(cc(cc2[nH]1)-c1ccc(cc1)-c1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C21H16N2O3/c1-12-22-19-11-16(10-18(21(25)26)20(19)23-12)15-4-2-13(3-5-15)14-6-8-17(24)9-7-14/h2-11,24H,1H3,(H,22,23)(H,25,26)
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Assay Description
Reagents used: L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic ...


US Patent US11028054 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM501647
PNG
(US11028054, Example 18)
Show SMILES COc1ccccc1-c1ccc(cc1)-c1cc(C(O)=O)c2nc(C)[nH]c2c1
Show InChI InChI=1S/C22H18N2O3/c1-13-23-19-12-16(11-18(22(25)26)21(19)24-13)14-7-9-15(10-8-14)17-5-3-4-6-20(17)27-2/h3-12H,1-2H3,(H,23,24)(H,25,26)
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Assay Description
Reagents used: L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic ...


US Patent US11028054 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM501654
PNG
(US11028054, Example 42)
Show SMILES Cc1nc2c(cc(cc2[nH]1)-c1ccc(cc1)-c1ccccc1CN1CCCCC1)C(O)=O
Show InChI InChI=1S/C27H27N3O2/c1-18-28-25-16-22(15-24(27(31)32)26(25)29-18)19-9-11-20(12-10-19)23-8-4-3-7-21(23)17-30-13-5-2-6-14-30/h3-4,7-12,15-16H,2,5-6,13-14,17H2,1H3,(H,28,29)(H,31,32)
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Assay Description
Reagents used: L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic ...


US Patent US11028054 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM501653
PNG
(US11028054, Example 39)
Show SMILES Cc1nc2c(cc(cc2[nH]1)-c1ccc(cc1)-c1cccc(CNC(C)(C)C)c1)C(O)=O
Show InChI InChI=1S/C26H27N3O2/c1-16-28-23-14-21(13-22(25(30)31)24(23)29-16)19-10-8-18(9-11-19)20-7-5-6-17(12-20)15-27-26(2,3)4/h5-14,27H,15H2,1-4H3,(H,28,29)(H,30,31)
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Assay Description
Reagents used: L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic ...


US Patent US11028054 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM501669
PNG
(US11028054, Example 84)
Show SMILES Cc1nc2c(cc(cc2[nH]1)-c1c(F)c(F)c(c(F)c1F)-c1ccc(CN2CCOCC2)cc1)C(O)=O
Show InChI InChI=1S/C26H21F4N3O3/c1-13-31-18-11-16(10-17(26(34)35)25(18)32-13)20-23(29)21(27)19(22(28)24(20)30)15-4-2-14(3-5-15)12-33-6-8-36-9-7-33/h2-5,10-11H,6-9,12H2,1H3,(H,31,32)(H,34,35)
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Assay Description
Reagents used: L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic ...


US Patent US11028054 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM501644
PNG
(US11028054, Example 15)
Show SMILES Cc1nc2c(cc(cc2[nH]1)-c1ccc(cc1)-c1cccc(OCc2ccccc2)c1)C(O)=O
Show InChI InChI=1S/C28H22N2O3/c1-18-29-26-16-23(15-25(28(31)32)27(26)30-18)21-12-10-20(11-13-21)22-8-5-9-24(14-22)33-17-19-6-3-2-4-7-19/h2-16H,17H2,1H3,(H,29,30)(H,31,32)
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US Patent


Assay Description
Reagents used: L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic ...


US Patent US11028054 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM501661
PNG
(US11028054, Example 59)
Show SMILES CC(C)NCc1cccc(c1)-c1c(F)c(F)c(-c2cc(C(O)=O)c3nc(C)[nH]c3c2)c(F)c1F
Show InChI InChI=1S/C25H21F4N3O2/c1-11(2)30-10-13-5-4-6-14(7-13)18-20(26)22(28)19(23(29)21(18)27)15-8-16(25(33)34)24-17(9-15)31-12(3)32-24/h4-9,11,30H,10H2,1-3H3,(H,31,32)(H,33,34)
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Assay Description
Reagents used: L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic ...


US Patent US11028054 (2021)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM501641
PNG
(US11028054, Example 4)
Show SMILES Cc1nc2c(cc(cc2[nH]1)-c1ccc(cc1)-c1cccc(F)c1F)C(O)=O
Show InChI InChI=1S/C21H14F2N2O2/c1-11-24-18-10-14(9-16(21(26)27)20(18)25-11)12-5-7-13(8-6-12)15-3-2-4-17(22)19(15)23/h2-10H,1H3,(H,24,25)(H,26,27)
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US Patent


Assay Description
Reagents used: L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic ...


US Patent US11028054 (2021)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%