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Patent code WO2022070068

Compile Data Set for Download or QSAR
Found 29 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 (quinone), mitochondrial


(Homo sapiens (Human))
BDBM530430
PNG
(6-(6-Amino-5-methylpyridin-2-yl)-7-fluoro-4-isopro...)
Show SMILES CC(C)c1cn(-c2ccccc2C)c(=O)c2cc(F)c(cc12)-c1ccc(C)c(N)n1
Show InChI InChI=1S/C25H24FN3O/c1-14(2)20-13-29(23-8-6-5-7-15(23)3)25(30)18-12-21(26)19(11-17(18)20)22-10-9-16(4)24(27)28-22/h5-14H,1-4H3,(H2,27,28)
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WIPO WO2022070068
n/an/a 0.180n/an/an/an/an/an/a



JANSSEN BIOTECH, INC.

WIPO


Assay Description
To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the final electron acceptor in the assay. DCIP can accept electrons from th...


WIPO WO2022070068 (2022)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM530432
PNG
(7-Fluoro-6-(2-(2-hydroxypropan-2-yl)-1-methyl-1H-i...)
Show SMILES CC(C)c1cn(-c2ccccc2C)c(=O)c2cc(F)c(cc12)-c1cn(C)c(n1)C(C)(C)O
Show InChI InChI=1S/C26H28FN3O2/c1-15(2)20-13-30(23-10-8-7-9-16(23)3)24(31)18-12-21(27)19(11-17(18)20)22-14-29(6)25(28-22)26(4,5)32/h7-15,32H,1-6H3
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WIPO WO2022070068
n/an/a 0.380n/an/an/an/an/an/a



JANSSEN BIOTECH, INC.

WIPO


Assay Description
To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the final electron acceptor in the assay. DCIP can accept electrons from th...


WIPO WO2022070068 (2022)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM530442
PNG
(7-Fluoro-6-(2-(2-hydroxypropan-2-yl)-1-methyl-1H-i...)
Show SMILES CC(C)c1nn(-c2ccccc2C)c(=O)c2cc(F)c(cc12)-c1cn(C)c(n1)C(C)(C)O
Show InChI InChI=1S/C25H27FN4O2/c1-14(2)22-16-11-18(20-13-29(6)24(27-20)25(4,5)32)19(26)12-17(16)23(31)30(28-22)21-10-8-7-9-15(21)3/h7-14,32H,1-6H3
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WIPO WO2022070068
n/an/a 0.450n/an/an/an/an/an/a



JANSSEN BIOTECH, INC.

WIPO


Assay Description
To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the final electron acceptor in the assay. DCIP can accept electrons from th...


WIPO WO2022070068 (2022)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM530441
PNG
((S*)-7-Fluoro-6-(5-(1-hydroxyethyl)-1-methyl-1H-1,...)
Show SMILES CC(C)c1cn(-c2ccccc2C)c(=O)c2cc(F)c(cc12)-c1nc([C@H](C)O)n(C)n1
Show InChI InChI=1S/C24H25FN4O2/c1-13(2)19-12-29(21-9-7-6-8-14(21)3)24(31)17-11-20(25)18(10-16(17)19)22-26-23(15(4)30)28(5)27-22/h6-13,15,30H,1-5H3/t15-/m0/s1
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WIPO WO2022070068
n/an/a 0.480n/an/an/an/an/an/a



JANSSEN BIOTECH, INC.

WIPO


Assay Description
To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the final electron acceptor in the assay. DCIP can accept electrons from th...


WIPO WO2022070068 (2022)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM530439
PNG
((R*)-7-Fluoro-6-(2-(1-hydroxyethyl)-1-methyl-1H-im...)
Show SMILES CC(C)c1cn(-c2ccccc2C)c(=O)c2cc(F)c(cc12)-c1cn(C)c(n1)[C@@H](C)O
Show InChI InChI=1S/C25H26FN3O2/c1-14(2)20-12-29(23-9-7-6-8-15(23)3)25(31)18-11-21(26)19(10-17(18)20)22-13-28(5)24(27-22)16(4)30/h6-14,16,30H,1-5H3/t16-/m1/s1
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WIPO WO2022070068
n/an/a 0.510n/an/an/an/an/an/a



JANSSEN BIOTECH, INC.

WIPO


Assay Description
To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the final electron acceptor in the assay. DCIP can accept electrons from th...


WIPO WO2022070068 (2022)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM530444
PNG
(2-(5-Chloro-3-methyl-1H-pyrazol-4-yl)-7-fluoro-6-(...)
Show SMILES CC(C)c1cn(-c2c(C)n[nH]c2Cl)c(=O)c2cc(F)c(cc12)-c1cn(C)c(n1)C(C)(C)O
Show InChI InChI=1S/C23H25ClFN5O2/c1-11(2)16-9-30(19-12(3)27-28-20(19)24)21(31)14-8-17(25)15(7-13(14)16)18-10-29(6)22(26-18)23(4,5)32/h7-11,32H,1-6H3,(H,27,28)
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WIPO WO2022070068
n/an/a 0.510n/an/an/an/an/an/a



JANSSEN BIOTECH, INC.

WIPO


Assay Description
To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the final electron acceptor in the assay. DCIP can accept electrons from th...


WIPO WO2022070068 (2022)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM530432
PNG
(7-Fluoro-6-(2-(2-hydroxypropan-2-yl)-1-methyl-1H-i...)
Show SMILES CC(C)c1cn(-c2ccccc2C)c(=O)c2cc(F)c(cc12)-c1cn(C)c(n1)C(C)(C)O
Show InChI InChI=1S/C26H28FN3O2/c1-15(2)20-13-30(23-10-8-7-9-16(23)3)24(31)18-12-21(27)19(11-17(18)20)22-14-29(6)25(28-22)26(4,5)32/h7-15,32H,1-6H3
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WIPO WO2022070068
n/an/a 0.540n/an/an/an/an/an/a



JANSSEN BIOTECH, INC.

WIPO


Assay Description
To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the final electron acceptor in the assay. DCIP can accept electrons from th...


WIPO WO2022070068 (2022)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM530435
PNG
(7-Fluoro-6-(5-(2-hydroxypropan-2-yl)-1-methyl-1H-1...)
Show SMILES CC(C)c1cn(-c2ccccc2C)c(=O)c2cc(F)c(cc12)-c1nc(n(C)n1)C(C)(C)O
Show InChI InChI=1S/C25H27FN4O2/c1-14(2)19-13-30(21-10-8-7-9-15(21)3)23(31)17-12-20(26)18(11-16(17)19)22-27-24(25(4,5)32)29(6)28-22/h7-14,32H,1-6H3
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WIPO WO2022070068
n/an/a 0.570n/an/an/an/an/an/a



JANSSEN BIOTECH, INC.

WIPO


Assay Description
To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the final electron acceptor in the assay. DCIP can accept electrons from th...


WIPO WO2022070068 (2022)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM530435
PNG
(7-Fluoro-6-(5-(2-hydroxypropan-2-yl)-1-methyl-1H-1...)
Show SMILES CC(C)c1cn(-c2ccccc2C)c(=O)c2cc(F)c(cc12)-c1nc(n(C)n1)C(C)(C)O
Show InChI InChI=1S/C25H27FN4O2/c1-14(2)19-13-30(21-10-8-7-9-15(21)3)23(31)17-12-20(26)18(11-16(17)19)22-27-24(25(4,5)32)29(6)28-22/h7-14,32H,1-6H3
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WIPO WO2022070068
n/an/a 0.640n/an/an/an/an/an/a



JANSSEN BIOTECH, INC.

WIPO


Assay Description
To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the final electron acceptor in the assay. DCIP can accept electrons from th...


WIPO WO2022070068 (2022)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM530445
PNG
(2-(5-Chloro-3-methyl-1H-pyrazol-4-yl)-7-fluoro-6-(...)
Show SMILES CC(C)c1cn(-c2c(C)n[nH]c2Cl)c(=O)c2cc(F)c(cc12)-c1nc(n(C)n1)C(C)(C)O
Show InChI InChI=1S/C22H24ClFN6O2/c1-10(2)15-9-30(17-11(3)26-27-18(17)23)20(31)13-8-16(24)14(7-12(13)15)19-25-21(22(4,5)32)29(6)28-19/h7-10,32H,1-6H3,(H,26,27)
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WIPO WO2022070068
n/an/a 0.710n/an/an/an/an/an/a



JANSSEN BIOTECH, INC.

WIPO


Assay Description
To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the final electron acceptor in the assay. DCIP can accept electrons from th...


WIPO WO2022070068 (2022)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM530438
PNG
((S*)-7-Fluoro-6-(2-(1-hydroxyethyl)-1-methyl-1H-im...)
Show SMILES CC(C)c1cn(-c2ccccc2C)c(=O)c2cc(F)c(cc12)-c1cn(C)c(n1)[C@H](C)O
Show InChI InChI=1S/C25H26FN3O2/c1-14(2)20-12-29(23-9-7-6-8-15(23)3)25(31)18-11-21(26)19(10-17(18)20)22-13-28(5)24(27-22)16(4)30/h6-14,16,30H,1-5H3/t16-/m0/s1
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WIPO WO2022070068
n/an/a 0.730n/an/an/an/an/an/a



JANSSEN BIOTECH, INC.

WIPO


Assay Description
To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the final electron acceptor in the assay. DCIP can accept electrons from th...


WIPO WO2022070068 (2022)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM530441
PNG
((S*)-7-Fluoro-6-(5-(1-hydroxyethyl)-1-methyl-1H-1,...)
Show SMILES CC(C)c1cn(-c2ccccc2C)c(=O)c2cc(F)c(cc12)-c1nc([C@H](C)O)n(C)n1
Show InChI InChI=1S/C24H25FN4O2/c1-13(2)19-12-29(21-9-7-6-8-14(21)3)24(31)17-11-20(25)18(10-16(17)19)22-26-23(15(4)30)28(5)27-22/h6-13,15,30H,1-5H3/t15-/m0/s1
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WIPO WO2022070068
n/an/a 1.10n/an/an/an/an/an/a



JANSSEN BIOTECH, INC.

WIPO


Assay Description
To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the final electron acceptor in the assay. DCIP can accept electrons from th...


WIPO WO2022070068 (2022)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM530433
PNG
(Racemic 7-Fluoro-6-(5-(1-hydroxyethyl)-1-methyl-1H...)
Show SMILES CC(C)c1cn(-c2ccccc2C)c(=O)c2cc(F)c(cc12)-c1nc(C(C)O)n(C)n1
Show InChI InChI=1S/C24H25FN4O2/c1-13(2)19-12-29(21-9-7-6-8-14(21)3)24(31)17-11-20(25)18(10-16(17)19)22-26-23(15(4)30)28(5)27-22/h6-13,15,30H,1-5H3
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WIPO WO2022070068
n/an/a 1.10n/an/an/an/an/an/a



JANSSEN BIOTECH, INC.

WIPO


Assay Description
To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the final electron acceptor in the assay. DCIP can accept electrons from th...


WIPO WO2022070068 (2022)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM530454
PNG
(7-Fluoro-6-(5-(2-hydroxypropan-2-yl)-1-methyl-1H-1...)
Show SMILES COc1cc(c(C)cn1)-n1cc(C(C)C)c2cc(-c3nc(n(C)n3)C(C)(C)O)c(F)cc2c1=O
Show InChI InChI=1S/C25H28FN5O3/c1-13(2)18-12-31(20-10-21(34-7)27-11-14(20)3)23(32)16-9-19(26)17(8-15(16)18)22-28-24(25(4,5)33)30(6)29-22/h8-13,33H,1-7H3
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WIPO WO2022070068
n/an/a 1.20n/an/an/an/an/an/a



JANSSEN BIOTECH, INC.

WIPO


Assay Description
To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the final electron acceptor in the assay. DCIP can accept electrons from th...


WIPO WO2022070068 (2022)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM530453
PNG
(7-Fluoro-6-(2-(2-hydroxypropan-2-yl)-1-methyl-1H-i...)
Show SMILES COc1cc(c(C)cn1)-n1cc(C(C)C)c2cc(-c3cn(C)c(n3)C(C)(C)O)c(F)cc2c1=O
Show InChI InChI=1S/C26H29FN4O3/c1-14(2)19-12-31(22-10-23(34-7)28-11-15(22)3)24(32)17-9-20(27)18(8-16(17)19)21-13-30(6)25(29-21)26(4,5)33/h8-14,33H,1-7H3
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WIPO WO2022070068
n/an/a 1.20n/an/an/an/an/an/a



JANSSEN BIOTECH, INC.

WIPO


Assay Description
To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the final electron acceptor in the assay. DCIP can accept electrons from th...


WIPO WO2022070068 (2022)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM530436
PNG
(7-Fluoro-6-(2-(hydroxymethyl)-1-methyl-1H-imidazol...)
Show SMILES CC(C)c1cn(-c2ccccc2C)c(=O)c2cc(F)c(cc12)-c1cn(C)c(CO)n1
Show InChI InChI=1S/C24H24FN3O2/c1-14(2)19-11-28(22-8-6-5-7-15(22)3)24(30)17-10-20(25)18(9-16(17)19)21-12-27(4)23(13-29)26-21/h5-12,14,29H,13H2,1-4H3
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WIPO WO2022070068
n/an/a 1.20n/an/an/an/an/an/a



JANSSEN BIOTECH, INC.

WIPO


Assay Description
To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the final electron acceptor in the assay. DCIP can accept electrons from th...


WIPO WO2022070068 (2022)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM530455
PNG
(2-(3-Chloro-6-methylpyridin-2-yl)-7-fluoro-6-(2-(2...)
Show SMILES CC(C)c1cn(-c2nc(C)ccc2Cl)c(=O)c2cc(F)c(cc12)-c1cn(C)c(n1)C(C)(C)O
Show InChI InChI=1S/C25H26ClFN4O2/c1-13(2)18-11-31(22-19(26)8-7-14(3)28-22)23(32)16-10-20(27)17(9-15(16)18)21-12-30(6)24(29-21)25(4,5)33/h7-13,33H,1-6H3
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WIPO WO2022070068
n/an/a 1.40n/an/an/an/an/an/a



JANSSEN BIOTECH, INC.

WIPO


Assay Description
To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the final electron acceptor in the assay. DCIP can accept electrons from th...


WIPO WO2022070068 (2022)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM530440
PNG
((R*)-7-Fluoro-6-(5-(1-hydroxyethyl)-1-methyl-1H-1,...)
Show SMILES CC(C)c1cn(-c2ccccc2C)c(=O)c2cc(F)c(cc12)-c1nc([C@@H](C)O)n(C)n1
Show InChI InChI=1S/C24H25FN4O2/c1-13(2)19-12-29(21-9-7-6-8-14(21)3)24(31)17-11-20(25)18(10-16(17)19)22-26-23(15(4)30)28(5)27-22/h6-13,15,30H,1-5H3/t15-/m1/s1
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WIPO WO2022070068
n/an/a 1.60n/an/an/an/an/an/a



JANSSEN BIOTECH, INC.

WIPO


Assay Description
To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the final electron acceptor in the assay. DCIP can accept electrons from th...


WIPO WO2022070068 (2022)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM530434
PNG
(6-(5-Acetyl-1-methyl-1H-1,2,4-triazol-3-yl)-7-fluo...)
Show SMILES CC(C)c1cn(-c2ccccc2C)c(=O)c2cc(F)c(cc12)-c1nc(C(C)=O)n(C)n1
Show InChI InChI=1S/C24H23FN4O2/c1-13(2)19-12-29(21-9-7-6-8-14(21)3)24(31)17-11-20(25)18(10-16(17)19)22-26-23(15(4)30)28(5)27-22/h6-13H,1-5H3
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WIPO WO2022070068
n/an/a 1.70n/an/an/an/an/an/a



JANSSEN BIOTECH, INC.

WIPO


Assay Description
To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the final electron acceptor in the assay. DCIP can accept electrons from th...


WIPO WO2022070068 (2022)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM530440
PNG
((R*)-7-Fluoro-6-(5-(1-hydroxyethyl)-1-methyl-1H-1,...)
Show SMILES CC(C)c1cn(-c2ccccc2C)c(=O)c2cc(F)c(cc12)-c1nc([C@@H](C)O)n(C)n1
Show InChI InChI=1S/C24H25FN4O2/c1-13(2)19-12-29(21-9-7-6-8-14(21)3)24(31)17-11-20(25)18(10-16(17)19)22-26-23(15(4)30)28(5)27-22/h6-13,15,30H,1-5H3/t15-/m1/s1
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WIPO WO2022070068
n/an/a 2n/an/an/an/an/an/a



JANSSEN BIOTECH, INC.

WIPO


Assay Description
To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the final electron acceptor in the assay. DCIP can accept electrons from th...


WIPO WO2022070068 (2022)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM530446
PNG
(2-(2-Chloro-4-methylpyridin-3-yl)-7-fluoro-6-(2-(2...)
Show SMILES CC(C)c1cn(-c2c(C)ccnc2Cl)c(=O)c2cc(F)c(cc12)-c1cn(C)c(n1)C(C)(C)O
Show InChI InChI=1S/C25H26ClFN4O2/c1-13(2)18-11-31(21-14(3)7-8-28-22(21)26)23(32)16-10-19(27)17(9-15(16)18)20-12-30(6)24(29-20)25(4,5)33/h7-13,33H,1-6H3
PDB
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WIPO WO2022070068
n/an/a 2n/an/an/an/an/an/a



JANSSEN BIOTECH, INC.

WIPO


Assay Description
To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the final electron acceptor in the assay. DCIP can accept electrons from th...


WIPO WO2022070068 (2022)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM530447
PNG
(2-(2-Chloro-4-methylpyridin-3-yl)-7-fluoro-6-(5-(2...)
Show SMILES CC(C)c1cn(-c2c(C)ccnc2Cl)c(=O)c2cc(F)c(cc12)-c1nc(n(C)n1)C(C)(C)O
Show InChI InChI=1S/C24H25ClFN5O2/c1-12(2)17-11-31(19-13(3)7-8-27-20(19)25)22(32)15-10-18(26)16(9-14(15)17)21-28-23(24(4,5)33)30(6)29-21/h7-12,33H,1-6H3
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WIPO WO2022070068
n/an/a 2.5n/an/an/an/an/an/a



JANSSEN BIOTECH, INC.

WIPO


Assay Description
To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the final electron acceptor in the assay. DCIP can accept electrons from th...


WIPO WO2022070068 (2022)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM530443
PNG
((R*)-7-Fluoro-6-(5-(1-hydroxyethyl)-1-methyl-1H-1,...)
Show SMILES CC(C)c1nn(-c2ccccc2C)c(=O)c2cc(F)c(cc12)-c1cn(C)c(n1)[C@@H](C)O
Show InChI InChI=1S/C24H25FN4O2/c1-13(2)22-16-10-18(20-12-28(5)23(26-20)15(4)30)19(25)11-17(16)24(31)29(27-22)21-9-7-6-8-14(21)3/h6-13,15,30H,1-5H3/t15-/m1/s1
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WIPO WO2022070068
n/an/a 2.60n/an/an/an/an/an/a



JANSSEN BIOTECH, INC.

WIPO


Assay Description
To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the final electron acceptor in the assay. DCIP can accept electrons from th...


WIPO WO2022070068 (2022)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM530437
PNG
(7-Fluoro-6-(5-(hydroxymethyl)-1-methyl-1H-1,2,4-tr...)
Show SMILES CC(C)c1cn(-c2ccccc2C)c(=O)c2cc(F)c(cc12)-c1nc(CO)n(C)n1
Show InChI InChI=1S/C23H23FN4O2/c1-13(2)18-11-28(20-8-6-5-7-14(20)3)23(30)16-10-19(24)17(9-15(16)18)22-25-21(12-29)27(4)26-22/h5-11,13,29H,12H2,1-4H3
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WIPO WO2022070068
n/an/a 2.60n/an/an/an/an/an/a



JANSSEN BIOTECH, INC.

WIPO


Assay Description
To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the final electron acceptor in the assay. DCIP can accept electrons from th...


WIPO WO2022070068 (2022)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM530429
PNG
(6-(5-Cyclopropylpyrazin-2-yl)-7-fluoro-4-isopropyl...)
Show SMILES CC(C)c1cn(-c2ccccc2C)c(=O)c2cc(F)c(cc12)-c1cnc(cn1)C1CC1
Show InChI InChI=1S/C26H24FN3O/c1-15(2)21-14-30(25-7-5-4-6-16(25)3)26(31)19-11-22(27)20(10-18(19)21)24-13-28-23(12-29-24)17-8-9-17/h4-7,10-15,17H,8-9H2,1-3H3
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WIPO WO2022070068
n/an/a 2.60n/an/an/an/an/an/a



JANSSEN BIOTECH, INC.

WIPO


Assay Description
To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the final electron acceptor in the assay. DCIP can accept electrons from th...


WIPO WO2022070068 (2022)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM530431
PNG
(6-(4-Amino-5-methylpyridin-2-yl)-7-fluoro-4-isopro...)
Show SMILES CC(C)c1cn(-c2ccccc2C)c(=O)c2cc(F)c(cc12)-c1cc(N)c(C)cn1
Show InChI InChI=1S/C25H24FN3O/c1-14(2)20-13-29(24-8-6-5-7-15(24)3)25(30)18-10-21(26)19(9-17(18)20)23-11-22(27)16(4)12-28-23/h5-14H,1-4H3,(H2,27,28)
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WIPO WO2022070068
n/an/a 3.60n/an/an/an/an/an/a



JANSSEN BIOTECH, INC.

WIPO


Assay Description
To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the final electron acceptor in the assay. DCIP can accept electrons from th...


WIPO WO2022070068 (2022)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM530452
PNG
(6-(5-Acetyl-1-ethyl-1H-1,2,4-triazol-3-yl)-7-fluor...)
Show SMILES CCn1nc(nc1C(C)=O)-c1cc2c(cn(-c3ccccc3C)c(=O)c2cc1F)C(C)C
Show InChI InChI=1S/C25H25FN4O2/c1-6-30-24(16(5)31)27-23(28-30)19-11-17-18(12-21(19)26)25(32)29(13-20(17)14(2)3)22-10-8-7-9-15(22)4/h7-14H,6H2,1-5H3
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WIPO WO2022070068
n/an/a 6.20n/an/an/an/an/an/a



JANSSEN BIOTECH, INC.

WIPO


Assay Description
To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the final electron acceptor in the assay. DCIP can accept electrons from th...


WIPO WO2022070068 (2022)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM530456
PNG
(6-(1-Ethyl-5-(1-hydroxyethyl)-1H-1,2,4-triazol-3-y...)
Show SMILES CCn1nc(nc1C(C)O)-c1cc2c(cn(-c3ccccc3C)c(=O)c2cc1F)C(C)C
Show InChI InChI=1S/C25H27FN4O2/c1-6-30-24(16(5)31)27-23(28-30)19-11-17-18(12-21(19)26)25(32)29(13-20(17)14(2)3)22-10-8-7-9-15(22)4/h7-14,16,31H,6H2,1-5H3
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WIPO WO2022070068
n/an/a 19n/an/an/an/an/an/a



JANSSEN BIOTECH, INC.

WIPO


Assay Description
To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the final electron acceptor in the assay. DCIP can accept electrons from th...


WIPO WO2022070068 (2022)

More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM530448
PNG
(6-(1-Ethyl-5-(2-hydroxypropan-2-yl)-1H-1,2,4-triaz...)
Show SMILES CCn1nc(nc1C(C)(C)O)-c1cc2c(cn(-c3ccccc3C)c(=O)c2cc1F)C(C)C
Show InChI InChI=1S/C26H29FN4O2/c1-7-31-25(26(5,6)33)28-23(29-31)19-12-17-18(13-21(19)27)24(32)30(14-20(17)15(2)3)22-11-9-8-10-16(22)4/h8-15,33H,7H2,1-6H3
PDB
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WIPO WO2022070068
n/an/a 27n/an/an/an/an/an/a



JANSSEN BIOTECH, INC.

WIPO


Assay Description
To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the final electron acceptor in the assay. DCIP can accept electrons from th...


WIPO WO2022070068 (2022)

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