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Patent code WO2022070071

Compile Data Set for Download or QSAR
Found 8 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))
BDBM530465
PNG
(8-(4-Ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-...)
Show SMILES CCn1c(CO)nn(-c2cc3c(cc(-c4ccccc4C)c(=O)n3cc2F)C(C)C)c1=O
Show InChI InChI=1S/C24H25FN4O3/c1-5-27-22(13-30)26-29(24(27)32)21-11-20-17(14(2)3)10-18(16-9-7-6-8-15(16)4)23(31)28(20)12-19(21)25/h6-12,14,30H,5,13H2,1-4H3
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WIPO WO2022070071
n/an/a 1.33n/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 WO2022070071 (2022)

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


(Homo sapiens (Human))
BDBM530467
PNG
(3-(5-Chloro-3-methyl-1H-pyrazol-4-yl)-7-fluoro-8-(...)
Show SMILES CC(C)c1cc(-c2c(C)n[nH]c2Cl)c(=O)n2cc(F)c(cc12)-c1nc(n(C)n1)C(C)(C)O
Show InChI InChI=1S/C22H24ClFN6O2/c1-10(2)12-7-14(17-11(3)26-27-18(17)23)20(31)30-9-15(24)13(8-16(12)30)19-25-21(22(4,5)32)29(6)28-19/h7-10,32H,1-6H3,(H,26,27)
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WIPO WO2022070071
n/an/a 2.10n/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 WO2022070071 (2022)

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


(Homo sapiens (Human))
BDBM530464
PNG
(7-Fluoro-8-(2-(2-hydroxypropan-2-yl)-1-methyl-1H-i...)
Show SMILES CC(C)c1cc(-c2ccccc2C)c(=O)n2cc(F)c(cc12)-c1cn(C)c(n1)C(C)(C)O
Show InChI InChI=1S/C26H28FN3O2/c1-15(2)18-11-19(17-10-8-7-9-16(17)3)24(31)30-13-21(27)20(12-23(18)30)22-14-29(6)25(28-22)26(4,5)32/h7-15,32H,1-6H3
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WIPO WO2022070071
n/an/a 2.11n/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 WO2022070071 (2022)

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


(Homo sapiens (Human))
BDBM530469
PNG
(7-Fluoro-8-(5-(2-hydroxypropan-2-yl)-1-methyl-1H-1...)
Show SMILES CC(C)c1cc(-c2c(C)n[nH]c2C(F)(F)F)c(=O)n2cc(F)c(cc12)-c1nc(n(C)n1)C(C)(C)O
Show InChI InChI=1S/C23H24F4N6O2/c1-10(2)12-7-14(17-11(3)29-30-18(17)23(25,26)27)20(34)33-9-15(24)13(8-16(12)33)19-28-21(22(4,5)35)32(6)31-19/h7-10,35H,1-6H3,(H,29,30)
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WIPO WO2022070071
n/an/a 2.51n/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 WO2022070071 (2022)

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


(Homo sapiens (Human))
BDBM530466
PNG
(3-(5-Chloro-3-methyl-1H-pyrazol-4-yl)-7-fluoro-8-(...)
Show SMILES CC(C)c1cc(-c2c(C)n[nH]c2Cl)c(=O)n2cc(F)c(cc12)-c1cn(C)c(n1)C(C)(C)O
Show InChI InChI=1S/C23H25ClFN5O2/c1-11(2)13-7-15(19-12(3)27-28-20(19)24)21(31)30-9-16(25)14(8-18(13)30)17-10-29(6)22(26-17)23(4,5)32/h7-11,32H,1-6H3,(H,27,28)
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WIPO WO2022070071
n/an/a 2.69n/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 WO2022070071 (2022)

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


(Homo sapiens (Human))
BDBM530468
PNG
(7-Fluoro-8-(2-(2-hydroxypropan-2-yl)-1-methyl-1H-i...)
Show SMILES CC(C)c1cc(-c2c(C)n[nH]c2C(F)(F)F)c(=O)n2cc(F)c(cc12)-c1cn(C)c(n1)C(C)(C)O
Show InChI InChI=1S/C24H25F4N5O2/c1-11(2)13-7-15(19-12(3)30-31-20(19)24(26,27)28)21(34)33-9-16(25)14(8-18(13)33)17-10-32(6)22(29-17)23(4,5)35/h7-11,35H,1-6H3,(H,30,31)
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WIPO WO2022070071
n/an/a 4.07n/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 WO2022070071 (2022)

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


(Homo sapiens (Human))
BDBM530470
PNG
(3-(2-Chloro-4-methylpyridin-3-yl)-7-fluoro-8-(2-(2...)
Show SMILES CC(C)c1cc(-c2c(C)ccnc2Cl)c(=O)n2cc(F)c(cc12)-c1cn(C)c(n1)C(C)(C)O
Show InChI InChI=1S/C25H26ClFN4O2/c1-13(2)15-9-17(21-14(3)7-8-28-22(21)26)23(32)31-11-18(27)16(10-20(15)31)19-12-30(6)24(29-19)25(4,5)33/h7-13,33H,1-6H3
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WIPO WO2022070071
n/an/a 13n/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 WO2022070071 (2022)

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


(Homo sapiens (Human))
BDBM530471
PNG
(3-(2-Chloro-4-methylpyridin-3-yl)-7-fluoro-8-(5-(2...)
Show SMILES CC(C)c1cc(-c2c(C)ccnc2Cl)c(=O)n2cc(F)c(cc12)-c1nc(n(C)n1)C(C)(C)O
Show InChI InChI=1S/C24H25ClFN5O2/c1-12(2)14-9-16(19-13(3)7-8-27-20(19)25)22(32)31-11-17(26)15(10-18(14)31)21-28-23(24(4,5)33)30(6)29-21/h7-12,33H,1-6H3
PDB
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WIPO WO2022070071
n/an/a 13n/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 WO2022070071 (2022)

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