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Patent code US10815215

Compile Data Set for Download or QSAR

Found 268 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))
BDBM470561
PNG
(1-(4-[(2-chloro-6-fluorophenyl)carbamoyl]-2-fluoro...)
Show SMILES CCCn1c(nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(F)cccc2Cl)c1=O)C(O)=O
Show InChI InChI=1S/C22H18ClF5N4O5/c1-3-7-31-18(20(34)35)30-32(21(31)36)15-9-16(37-10(2)22(26,27)28)11(8-14(15)25)19(33)29-17-12(23)5-4-6-13(17)24/h4-6,8-10H,3,7H2,1-2H3,(H,29,33)(H,34,35)/t10-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470358
PNG
(4-(3-ethyl-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-tri...)
Show SMILES CCC[C@H](C)Oc1cc(c(F)cc1C(=O)Nc1c(C)cccc1F)-n1nc(CC)n(C)c1=O
Show InChI InChI=1S/C24H28F2N4O3/c1-6-9-15(4)33-20-13-19(30-24(32)29(5)21(7-2)28-30)18(26)12-16(20)23(31)27-22-14(3)10-8-11-17(22)25/h8,10-13,15H,6-7,9H2,1-5H3,(H,27,31)/t15-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 2: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-Dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470552
PNG
(1-(4-[(2-chloro-6-fluorophenyl)carbamoyl]-2-fluoro...)
Show SMILES CCn1c(nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(F)cccc2Cl)c1=O)C(O)=O
Show InChI InChI=1S/C21H16ClF5N4O5/c1-3-30-17(19(33)34)29-31(20(30)35)14-8-15(36-9(2)21(25,26)27)10(7-13(14)24)18(32)28-16-11(22)5-4-6-12(16)23/h4-9H,3H2,1-2H3,(H,28,32)(H,33,34)/t9-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470555
PNG
(1-(4-[(2,6-dichlorophenyl)carbamoyl]-2-fluoro-5-{[...)
Show SMILES CCn1c(nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(Cl)cccc2Cl)c1=O)C(O)=O
Show InChI InChI=1S/C21H16Cl2F4N4O5/c1-3-30-17(19(33)34)29-31(20(30)35)14-8-15(36-9(2)21(25,26)27)10(7-13(14)24)18(32)28-16-11(22)5-4-6-12(16)23/h4-9H,3H2,1-2H3,(H,28,32)(H,33,34)/t9-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470513
PNG
(4-(3-ethyl-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-tri...)
Show SMILES CCC(CC)NC(=O)c1cc(F)c(cc1OC(C)CC=C)-n1nc(CC)n(C)c1=O
Show InChI InChI=1S/C22H31FN4O3/c1-7-11-14(5)30-19-13-18(27-22(29)26(6)20(10-4)25-27)17(23)12-16(19)21(28)24-15(8-2)9-3/h7,12-15H,1,8-11H2,2-6H3,(H,24,28)
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n/an/a 1.80n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 2: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-Dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470565
PNG
(1-(4-[(2-chloro-6-fluorophenyl)carbamoyl]-2-fluoro...)
Show SMILES C[C@H](Oc1cc(c(F)cc1C(=O)Nc1c(F)cccc1Cl)-n1nc(C(O)=O)n(CC=C)c1=O)C(F)(F)F
Show InChI InChI=1S/C22H16ClF5N4O5/c1-3-7-31-18(20(34)35)30-32(21(31)36)15-9-16(37-10(2)22(26,27)28)11(8-14(15)25)19(33)29-17-12(23)5-4-6-13(17)24/h3-6,8-10H,1,7H2,2H3,(H,29,33)(H,34,35)/t10-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470524
PNG
(N-(2-chloro-6-fluorophenyl)-5-fluoro-4-[3-(hydroxy...)
Show SMILES C[C@H](Oc1cc(c(F)cc1C(=O)Nc1c(F)cccc1Cl)-n1nc(CO)n(CC=C)c1=O)C(F)(F)F
Show InChI InChI=1S/C22H18ClF5N4O4/c1-3-7-31-18(10-33)30-32(21(31)35)16-9-17(36-11(2)22(26,27)28)12(8-15(16)25)20(34)29-19-13(23)5-4-6-14(19)24/h3-6,8-9,11,33H,1,7,10H2,2H3,(H,29,34)/t11-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470377
PNG
(4-(3-ethyl-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-tri...)
Show SMILES CCC[C@H](C)Oc1cc(c(F)cc1C(=O)Nc1ccccc1CC)-n1nc(CC)n(C)c1=O
Show InChI InChI=1S/C25H31FN4O3/c1-6-11-16(4)33-22-15-21(30-25(32)29(5)23(8-3)28-30)19(26)14-18(22)24(31)27-20-13-10-9-12-17(20)7-2/h9-10,12-16H,6-8,11H2,1-5H3,(H,27,31)/t16-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 2: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-Dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470522
PNG
(N-(2-chloro-6-fluorophenyl)-5-fluoro-4-[3-(hydroxy...)
Show SMILES CCCn1c(CO)nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(F)cccc2Cl)c1=O
Show InChI InChI=1S/C22H20ClF5N4O4/c1-3-7-31-18(10-33)30-32(21(31)35)16-9-17(36-11(2)22(26,27)28)12(8-15(16)25)20(34)29-19-13(23)5-4-6-14(19)24/h4-6,8-9,11,33H,3,7,10H2,1-2H3,(H,29,34)/t11-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470359
PNG
(N-(2,6-difluorophenyl)-4-(3-ethyl-4-methyl-5-oxo-4...)
Show SMILES CCC[C@H](C)Oc1cc(c(F)cc1C(=O)Nc1c(F)cccc1F)-n1nc(CC)n(C)c1=O
Show InChI InChI=1S/C23H25F3N4O3/c1-5-8-13(3)33-19-12-18(30-23(32)29(4)20(6-2)28-30)17(26)11-14(19)22(31)27-21-15(24)9-7-10-16(21)25/h7,9-13H,5-6,8H2,1-4H3,(H,27,31)/t13-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 2: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-Dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470466
PNG
(N-(2,6-dichlorophenyl)-4-[4-ethyl-3-(hydroxymethyl...)
Show SMILES CCn1c(CO)nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C21H18Cl2F4N4O4/c1-3-30-17(9-32)29-31(20(30)34)15-8-16(35-10(2)21(25,26)27)11(7-14(15)24)19(33)28-18-12(22)5-4-6-13(18)23/h4-8,10,32H,3,9H2,1-2H3,(H,28,33)/t10-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470568
PNG
(1-(4-[(2-chloro-6-fluorophenyl)carbamoyl]-2-fluoro...)
Show SMILES CCn1c(nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(F)cccc2Cl)c1=O)C(N)=O
Show InChI InChI=1S/C21H17ClF5N5O4/c1-3-31-18(17(28)33)30-32(20(31)35)14-8-15(36-9(2)21(25,26)27)10(7-13(14)24)19(34)29-16-11(22)5-4-6-12(16)23/h4-9H,3H2,1-2H3,(H2,28,33)(H,29,34)/t9-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470472
PNG
(N-(2-chloro-6-fluorophenyl)-5-fluoro-4-[3-(hydroxy...)
Show SMILES CCC[C@H](C)Oc1cc(c(F)cc1C(=O)Nc1c(F)cccc1Cl)-n1nc(CO)n(C)c1=O
Show InChI InChI=1S/C22H23ClF2N4O4/c1-4-6-12(2)33-18-10-17(29-22(32)28(3)19(11-30)27-29)16(25)9-13(18)21(31)26-20-14(23)7-5-8-15(20)24/h5,7-10,12,30H,4,6,11H2,1-3H3,(H,26,31)/t12-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470471
PNG
(N-(2,6-dichlorophenyl)-5-fluoro-4-{3-[(1S)-1-hydro...)
Show SMILES C[C@H](O)c1nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(Cl)cccc2Cl)c(=O)n1C
Show InChI InChI=1S/C21H18Cl2F4N4O4/c1-9(32)18-29-31(20(34)30(18)3)15-8-16(35-10(2)21(25,26)27)11(7-14(15)24)19(33)28-17-12(22)5-4-6-13(17)23/h4-10,32H,1-3H3,(H,28,33)/t9-,10-/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470516
PNG
(N-(2-chloro-6-fluorophenyl)-4-[3-(2-hydroxypropan-...)
Show SMILES C[C@H](Oc1cc(ccc1C(=O)Nc1c(F)cccc1Cl)-n1nc(n(C)c1=O)C(C)(C)O)C(F)(F)F
Show InChI InChI=1S/C22H21ClF4N4O4/c1-11(22(25,26)27)35-16-10-12(31-20(33)30(4)19(29-31)21(2,3)34)8-9-13(16)18(32)28-17-14(23)6-5-7-15(17)24/h5-11,34H,1-4H3,(H,28,32)/t11-/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470454
PNG
(N-(2-chloro-6-fluorophenyl)-4-[4-ethyl-3-(hydroxym...)
Show SMILES CCn1c(CO)nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(F)cccc2Cl)c1=O
Show InChI InChI=1S/C21H18ClF5N4O4/c1-3-30-17(9-32)29-31(20(30)34)15-8-16(35-10(2)21(25,26)27)11(7-14(15)24)19(33)28-18-12(22)5-4-6-13(18)23/h4-8,10,32H,3,9H2,1-2H3,(H,28,33)/t10-/m0/s1
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n/an/a 4.17n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470532
PNG
(N-(2-chloro-6-fluoro-4-hydroxyphenyl)-4-[4-ethyl-3...)
Show SMILES CCn1c(CO)nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(F)cc(O)cc2Cl)c1=O
Show InChI InChI=1S/C21H18ClF5N4O5/c1-3-30-17(8-32)29-31(20(30)35)15-7-16(36-9(2)21(25,26)27)11(6-13(15)23)19(34)28-18-12(22)4-10(33)5-14(18)24/h4-7,9,32-33H,3,8H2,1-2H3,(H,28,34)/t9-/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470465
PNG
(N-(2,6-dichlorophenyl)-5-fluoro-4-[3-(hydroxymethy...)
Show SMILES C[C@H](Oc1cc(c(F)cc1C(=O)Nc1c(Cl)cccc1Cl)-n1nc(CO)n(C)c1=O)C(F)(F)F
Show InChI InChI=1S/C20H16Cl2F4N4O4/c1-9(20(24,25)26)34-15-7-14(30-19(33)29(2)16(8-31)28-30)13(23)6-10(15)18(32)27-17-11(21)4-3-5-12(17)22/h3-7,9,31H,8H2,1-2H3,(H,27,32)/t9-/m0/s1
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n/an/a 4.33n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470480
PNG
(5-fluoro-N-(2-fluoro-6-methylphenyl)-4-[3-(2-hydro...)
Show SMILES CCC[C@H](C)Oc1cc(c(F)cc1C(=O)Nc1c(C)cccc1F)-n1nc(n(C)c1=O)C(C)(C)O
Show InChI InChI=1S/C25H30F2N4O4/c1-7-9-15(3)35-20-13-19(31-24(33)30(6)23(29-31)25(4,5)34)18(27)12-16(20)22(32)28-21-14(2)10-8-11-17(21)26/h8,10-13,15,34H,7,9H2,1-6H3,(H,28,32)/t15-/m0/s1
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n/an/a 4.5n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470462
PNG
(4-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-...)
Show SMILES CCn1c(CO)nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(C)cccc2F)c1=O
Show InChI InChI=1S/C22H21F5N4O4/c1-4-30-18(10-32)29-31(21(30)34)16-9-17(35-12(3)22(25,26)27)13(8-15(16)24)20(33)28-19-11(2)6-5-7-14(19)23/h5-9,12,32H,4,10H2,1-3H3,(H,28,33)/t12-/m0/s1
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n/an/a 4.5n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470467
PNG
(N-(2,6-dichlorophenyl)-5-fluoro-4-[3-(2-hydroxypro...)
Show SMILES C[C@H](Oc1cc(c(F)cc1C(=O)Nc1c(Cl)cccc1Cl)-n1nc(n(C)c1=O)C(C)(C)O)C(F)(F)F
Show InChI InChI=1S/C22H20Cl2F4N4O4/c1-10(22(26,27)28)36-16-9-15(32-20(34)31(4)19(30-32)21(2,3)35)14(25)8-11(16)18(33)29-17-12(23)6-5-7-13(17)24/h5-10,35H,1-4H3,(H,29,33)/t10-/m0/s1
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n/an/a 4.5n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470474
PNG
(N-(2-chloro-6-fluorophenyl)-5-fluoro-4-[3-(2-hydro...)
Show SMILES CCC[C@H](C)Oc1cc(c(F)cc1C(=O)Nc1c(F)cccc1Cl)-n1nc(n(C)c1=O)C(C)(C)O
Show InChI InChI=1S/C24H27ClF2N4O4/c1-6-8-13(2)35-19-12-18(31-23(33)30(5)22(29-31)24(3,4)34)17(27)11-14(19)21(32)28-20-15(25)9-7-10-16(20)26/h7,9-13,34H,6,8H2,1-5H3,(H,28,32)/t13-/m0/s1
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n/an/a 4.5n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470473
PNG
(N-(2-chloro-6-fluorophenyl)-5-fluoro-4-{3-[(1S)-1-...)
Show SMILES CCC[C@H](C)Oc1cc(c(F)cc1C(=O)Nc1c(F)cccc1Cl)-n1nc([C@H](C)O)n(C)c1=O
Show InChI InChI=1S/C23H25ClF2N4O4/c1-5-7-12(2)34-19-11-18(30-23(33)29(4)21(28-30)13(3)31)17(26)10-14(19)22(32)27-20-15(24)8-6-9-16(20)25/h6,8-13,31H,5,7H2,1-4H3,(H,27,32)/t12-,13-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470407
PNG
(5-fluoro-N-(2-fluoro-6-methylphenyl)-4-[4-methyl-5...)
Show SMILES CC(C)c1nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(C)cccc2F)c(=O)n1C
Show InChI InChI=1S/C23H23F5N4O3/c1-11(2)20-30-32(22(34)31(20)5)17-10-18(35-13(4)23(26,27)28)14(9-16(17)25)21(33)29-19-12(3)7-6-8-15(19)24/h6-11,13H,1-5H3,(H,29,33)/t13-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470530
PNG
(N-(6-chloro-2-fluoro-3-hydroxyphenyl)-4-[4-ethyl-3...)
Show SMILES CCn1c(CO)nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(Cl)ccc(O)c2F)c1=O
Show InChI InChI=1S/C21H18ClF5N4O5/c1-3-30-16(8-32)29-31(20(30)35)13-7-15(36-9(2)21(25,26)27)10(6-12(13)23)19(34)28-18-11(22)4-5-14(33)17(18)24/h4-7,9,32-33H,3,8H2,1-2H3,(H,28,34)/t9-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470534
PNG
(N-(2-chloro-6-fluoro-3-hydroxyphenyl)-4-[4-ethyl-3...)
Show SMILES CCn1c(CO)nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(F)ccc(O)c2Cl)c1=O
Show InChI InChI=1S/C21H18ClF5N4O5/c1-3-30-16(8-32)29-31(20(30)35)13-7-15(36-9(2)21(25,26)27)10(6-12(13)24)19(34)28-18-11(23)4-5-14(33)17(18)22/h4-7,9,32-33H,3,8H2,1-2H3,(H,28,34)/t9-/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470533
PNG
(N-(2-chloro-6-fluoro-3-methoxyphenyl)-4-[4-ethyl-3...)
Show SMILES CCn1c(CO)nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(F)ccc(OC)c2Cl)c1=O
Show InChI InChI=1S/C22H20ClF5N4O5/c1-4-31-17(9-33)30-32(21(31)35)14-8-16(37-10(2)22(26,27)28)11(7-13(14)25)20(34)29-19-12(24)5-6-15(36-3)18(19)23/h5-8,10,33H,4,9H2,1-3H3,(H,29,34)/t10-/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470357
PNG
(4-(3-ethyl-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-tri...)
Show SMILES CCC[C@H](C)Oc1cc(c(F)cc1C(=O)Nc1ccccc1C)-n1nc(CC)n(C)c1=O
Show InChI InChI=1S/C24H29FN4O3/c1-6-10-16(4)32-21-14-20(29-24(31)28(5)22(7-2)27-29)18(25)13-17(21)23(30)26-19-12-9-8-11-15(19)3/h8-9,11-14,16H,6-7,10H2,1-5H3,(H,26,30)/t16-/m0/s1
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n/an/a 5.33n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470365
PNG
(N-(3-amino-2-methylphenyl)-4-(3-ethyl-4-methyl-5-o...)
Show SMILES CCC[C@H](C)Oc1cc(c(F)cc1C(=O)Nc1cccc(N)c1C)-n1nc(CC)n(C)c1=O
Show InChI InChI=1S/C24H30FN5O3/c1-6-9-14(3)33-21-13-20(30-24(32)29(5)22(7-2)28-30)17(25)12-16(21)23(31)27-19-11-8-10-18(26)15(19)4/h8,10-14H,6-7,9,26H2,1-5H3,(H,27,31)/t14-/m0/s1
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n/an/a 5.40n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 2: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-Dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470380
PNG
(4-(3-ethyl-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-tri...)
Show SMILES CCC[C@H](C)Oc1cc(c(F)cc1C(=O)Nc1ccc(CC)cc1)-n1nc(CC)n(C)c1=O
Show InChI InChI=1S/C25H31FN4O3/c1-6-9-16(4)33-22-15-21(30-25(32)29(5)23(8-3)28-30)20(26)14-19(22)24(31)27-18-12-10-17(7-2)11-13-18/h10-16H,6-9H2,1-5H3,(H,27,31)/t16-/m0/s1
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n/an/a 5.5n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 2: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-Dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470463
PNG
(5-fluoro-N-(2-fluoro-6-methylphenyl)-4-[3-(2-hydro...)
Show SMILES C[C@H](Oc1cc(c(F)cc1C(=O)Nc1c(C)cccc1F)-n1nc(n(C)c1=O)C(C)(C)O)C(F)(F)F
Show InChI InChI=1S/C23H23F5N4O4/c1-11-7-6-8-14(24)18(11)29-19(33)13-9-15(25)16(10-17(13)36-12(2)23(26,27)28)32-21(34)31(5)20(30-32)22(3,4)35/h6-10,12,35H,1-5H3,(H,29,33)/t12-/m0/s1
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n/an/a 5.5n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470358
PNG
(4-(3-ethyl-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-tri...)
Show SMILES CCC[C@H](C)Oc1cc(c(F)cc1C(=O)Nc1c(C)cccc1F)-n1nc(CC)n(C)c1=O
Show InChI InChI=1S/C24H28F2N4O3/c1-6-9-15(4)33-20-13-19(30-24(32)29(5)21(7-2)28-30)18(26)12-16(20)23(31)27-22-14(3)10-8-11-17(22)25/h8,10-13,15H,6-7,9H2,1-5H3,(H,27,31)/t15-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470551
PNG
(1-(4-[(2-chloro-6-fluorophenyl)carbamoyl]-3-{[(2S)...)
Show SMILES CCn1c(nn(-c2ccc(C(=O)Nc3c(F)cccc3Cl)c(O[C@@H](C)C(F)(F)F)c2)c1=O)C(O)=O
Show InChI InChI=1S/C21H17ClF4N4O5/c1-3-29-17(19(32)33)28-30(20(29)34)11-7-8-12(15(9-11)35-10(2)21(24,25)26)18(31)27-16-13(22)5-4-6-14(16)23/h4-10H,3H2,1-2H3,(H,27,31)(H,32,33)/t10-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470518
PNG
(N-(2-chloro-6-fluorophenyl)-4-[4-ethyl-3-(hydroxym...)
Show SMILES CCn1c(CO)nn(-c2ccc(C(=O)Nc3c(F)cccc3Cl)c(O[C@@H](C)C(F)(F)F)c2)c1=O
Show InChI InChI=1S/C21H19ClF4N4O4/c1-3-29-17(10-31)28-30(20(29)33)12-7-8-13(16(9-12)34-11(2)21(24,25)26)19(32)27-18-14(22)5-4-6-15(18)23/h4-9,11,31H,3,10H2,1-2H3,(H,27,32)/t11-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470395
PNG
(4-(3-cyclopropyl-4-ethyl-5-oxo-4,5-dihydro-1H-1,2,...)
Show SMILES CCn1c(nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(C)cccc2F)c1=O)C1CC1
Show InChI InChI=1S/C24H23F5N4O3/c1-4-32-21(14-8-9-14)31-33(23(32)35)18-11-19(36-13(3)24(27,28)29)15(10-17(18)26)22(34)30-20-12(2)6-5-7-16(20)25/h5-7,10-11,13-14H,4,8-9H2,1-3H3,(H,30,34)/t13-/m0/s1
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n/an/a 6.05n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470453
PNG
(N-(2-chloro-6-fluorophenyl)-5-fluoro-4-[3-(2-hydro...)
Show SMILES C[C@H](Oc1cc(c(F)cc1C(=O)Nc1c(F)cccc1Cl)-n1nc(n(C)c1=O)C(C)(C)O)C(F)(F)F
Show InChI InChI=1S/C22H20ClF5N4O4/c1-10(22(26,27)28)36-16-9-15(32-20(34)31(4)19(30-32)21(2,3)35)14(25)8-11(16)18(33)29-17-12(23)6-5-7-13(17)24/h5-10,35H,1-4H3,(H,29,33)/t10-/m0/s1
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n/an/a 6.17n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470558
PNG
(1-(4-[(2-chloro-6-fluorophenyl)carbamoyl]-2-fluoro...)
Show SMILES C[C@H](Oc1cc(c(F)cc1C(=O)Nc1c(F)cccc1Cl)-n1nc(C(O)=O)n(C)c1=O)C(F)(F)F
Show InChI InChI=1S/C20H14ClF5N4O5/c1-8(20(24,25)26)35-14-7-13(30-19(34)29(2)16(28-30)18(32)33)12(23)6-9(14)17(31)27-15-10(21)4-3-5-11(15)22/h3-8H,1-2H3,(H,27,31)(H,32,33)/t8-/m0/s1
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n/an/a 6.5n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470523
PNG
(N-(2-chloro-6-fluorophenyl)-4-[4-cyclobutyl-3-(hyd...)
Show SMILES C[C@H](Oc1cc(c(F)cc1C(=O)Nc1c(F)cccc1Cl)-n1nc(CO)n(C2CCC2)c1=O)C(F)(F)F
Show InChI InChI=1S/C23H20ClF5N4O4/c1-11(23(27,28)29)37-18-9-17(33-22(36)32(12-4-2-5-12)19(10-34)31-33)16(26)8-13(18)21(35)30-20-14(24)6-3-7-15(20)25/h3,6-9,11-12,34H,2,4-5,10H2,1H3,(H,30,35)/t11-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470562
PNG
(1-(4-[(2-chloro-6-fluorophenyl)carbamoyl]-5-{[3,3-...)
Show SMILES CCn1c(nn(-c2cc(OC(C)C(C)(F)F)c(cc2F)C(=O)Nc2c(F)cccc2Cl)c1=O)C(O)=O
Show InChI InChI=1S/C22H19ClF4N4O5/c1-4-30-18(20(33)34)29-31(21(30)35)15-9-16(36-10(2)22(3,26)27)11(8-14(15)25)19(32)28-17-12(23)6-5-7-13(17)24/h5-10H,4H2,1-3H3,(H,28,32)(H,33,34)
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n/an/a 7n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470479
PNG
(5-fluoro-N-(2-fluoro-6-methylphenyl)-4-{3-[(1S)-1-...)
Show SMILES CCC[C@H](C)Oc1cc(c(F)cc1C(=O)Nc1c(C)cccc1F)-n1nc([C@H](C)O)n(C)c1=O
Show InChI InChI=1S/C24H28F2N4O4/c1-6-8-14(3)34-20-12-19(30-24(33)29(5)22(28-30)15(4)31)18(26)11-16(20)23(32)27-21-13(2)9-7-10-17(21)25/h7,9-12,14-15,31H,6,8H2,1-5H3,(H,27,32)/t14-,15-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470564
PNG
(1-(4-[(2,6-difluorophenyl)carbamoyl]-2-fluoro-5-{[...)
Show SMILES CCn1c(nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(F)cccc2F)c1=O)C(O)=O
Show InChI InChI=1S/C21H16F6N4O5/c1-3-30-17(19(33)34)29-31(20(30)35)14-8-15(36-9(2)21(25,26)27)10(7-13(14)24)18(32)28-16-11(22)5-4-6-12(16)23/h4-9H,3H2,1-2H3,(H,28,32)(H,33,34)/t9-/m0/s1
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n/an/a 7.5n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470389
PNG
(4-(3-cyclopropyl-4-methyl-5-oxo-4,5-dihydro-1H-1,2...)
Show SMILES C[C@H](Oc1cc(c(F)cc1C(=O)Nc1c(C)cccc1F)-n1nc(C2CC2)n(C)c1=O)C(F)(F)F
Show InChI InChI=1S/C23H21F5N4O3/c1-11-5-4-6-15(24)19(11)29-21(33)14-9-16(25)17(10-18(14)35-12(2)23(26,27)28)32-22(34)31(3)20(30-32)13-7-8-13/h4-6,9-10,12-13H,7-8H2,1-3H3,(H,29,33)/t12-/m0/s1
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n/an/a 7.5n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470478
PNG
(5-fluoro-N-(2-fluoro-6-methylphenyl)-4-[3-(hydroxy...)
Show SMILES CCC[C@H](C)Oc1cc(c(F)cc1C(=O)Nc1c(C)cccc1F)-n1nc(CO)n(C)c1=O
Show InChI InChI=1S/C23H26F2N4O4/c1-5-7-14(3)33-19-11-18(29-23(32)28(4)20(12-30)27-29)17(25)10-15(19)22(31)26-21-13(2)8-6-9-16(21)24/h6,8-11,14,30H,5,7,12H2,1-4H3,(H,26,31)/t14-/m0/s1
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n/an/a 7.5n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470412
PNG
(4-(3-ethyl-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-tri...)
Show SMILES CCc1nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(C)cccc2F)c(=O)n1C
Show InChI InChI=1S/C22H21F5N4O3/c1-5-18-29-31(21(33)30(18)4)16-10-17(34-12(3)22(25,26)27)13(9-15(16)24)20(32)28-19-11(2)7-6-8-14(19)23/h6-10,12H,5H2,1-4H3,(H,28,32)/t12-/m0/s1
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n/an/a 7.75n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470349
PNG
(5-fluoro-N-(2-fluoro-6-methylphenyl)-4-[3-methyl-5...)
Show SMILES CCC[C@H](C)Oc1cc(c(F)cc1C(=O)Nc1c(C)cccc1F)-n1nc(C)n(C(C)C)c1=O
Show InChI InChI=1S/C25H30F2N4O3/c1-7-9-16(5)34-22-13-21(31-25(33)30(14(2)3)17(6)29-31)20(27)12-18(22)24(32)28-23-15(4)10-8-11-19(23)26/h8,10-14,16H,7,9H2,1-6H3,(H,28,32)/t16-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 2: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-Dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470554
PNG
(4-ethyl-1-(2-fluoro-4-[(2-fluoro-6-methylphenyl)ca...)
Show SMILES CCn1c(nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(C)cccc2F)c1=O)C(O)=O
Show InChI InChI=1S/C22H19F5N4O5/c1-4-30-18(20(33)34)29-31(21(30)35)15-9-16(36-11(3)22(25,26)27)12(8-14(15)24)19(32)28-17-10(2)6-5-7-13(17)23/h5-9,11H,4H2,1-3H3,(H,28,32)(H,33,34)/t11-/m0/s1
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n/an/a 8.5n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470339
PNG
(5-fluoro-4-[3-methyl-5-oxo-4-(propan-2-yl)-4,5-dih...)
Show SMILES CC(C)n1c(C)nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2ccccc2C)c1=O
Show InChI InChI=1S/C23H24F4N4O3/c1-12(2)30-15(5)29-31(22(30)33)19-11-20(34-14(4)23(25,26)27)16(10-17(19)24)21(32)28-18-9-7-6-8-13(18)3/h6-12,14H,1-5H3,(H,28,32)/t14-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 2: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-Dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470553
PNG
(1-(4-[(2,6-difluorophenyl)carbamoyl]-3-{[(2S)-1,1,...)
Show SMILES CCn1c(nn(-c2ccc(C(=O)Nc3c(F)cccc3F)c(O[C@@H](C)C(F)(F)F)c2)c1=O)C(O)=O
Show InChI InChI=1S/C21H17F5N4O5/c1-3-29-17(19(32)33)28-30(20(29)34)11-7-8-12(15(9-11)35-10(2)21(24,25)26)18(31)27-16-13(22)5-4-6-14(16)23/h4-10H,3H2,1-2H3,(H,27,31)(H,32,33)/t10-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470452
PNG
(N-(2-chloro-6-fluorophenyl)-5-fluoro-4-[3-(hydroxy...)
Show SMILES C[C@H](Oc1cc(c(F)cc1C(=O)Nc1c(F)cccc1Cl)-n1nc(CO)n(C)c1=O)C(F)(F)F
Show InChI InChI=1S/C20H16ClF5N4O4/c1-9(20(24,25)26)34-15-7-14(30-19(33)29(2)16(8-31)28-30)13(23)6-10(15)18(32)27-17-11(21)4-3-5-12(17)22/h3-7,9,31H,8H2,1-2H3,(H,27,32)/t9-/m0/s1
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n/an/a 9.75n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470525
PNG
(N-(2-chloro-6-fluorophenyl)-2-{[3,3-difluorobutan-...)
Show SMILES CCn1c(CO)nn(-c2cc(OC(C)C(C)(F)F)c(cc2F)C(=O)Nc2c(F)cccc2Cl)c1=O
Show InChI InChI=1S/C22H21ClF4N4O4/c1-4-30-18(10-32)29-31(21(30)34)16-9-17(35-11(2)22(3,26)27)12(8-15(16)25)20(33)28-19-13(23)6-5-7-14(19)24/h5-9,11,32H,4,10H2,1-3H3,(H,28,33)
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n/an/a 10n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION

US Patent


Assay Description
Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...


US Patent US10815215 (2020)

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