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Patent code WO2022070069

Compile Data Set for Download or QSAR
Found 6 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))
BDBM530461
PNG
(N-(5-Chloro-3-methyl-1H-pyrazol-4-yl)-5-fluoro-4-(...)
Show SMILES C[C@@H](O)c1nn(cc1C)-c1cc(O[C@@H](C)C(F)(F)F)c(cc1F)C(=O)Nc1c(C)n[nH]c1Cl
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WIPO WO2022070069
n/an/a 0.220n/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 WO2022070069 (2022)

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


(Homo sapiens (Human))
BDBM530462
PNG
(N-(5-Chloro-3-methyl-1H-pyrazol-4-yl)-5-fluoro-4-(...)
Show SMILES C[C@H](O)c1nn(cc1C)-c1cc(O[C@@H](C)C(F)(F)F)c(cc1F)C(=O)Nc1c(C)n[nH]c1Cl
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WIPO WO2022070069
n/an/a 0.260n/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 WO2022070069 (2022)

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


(Homo sapiens (Human))
BDBM530459
PNG
(N-(2-Chloro-6-fluorophenyl)-5-fluoro-4-(3-((S*)-1-...)
Show SMILES C[C@H](O)c1nn(cc1C)-c1cc(O[C@@H](C)C(F)(F)F)c(cc1F)C(=O)Nc1c(F)cccc1Cl
Show InChI InChI=1S/C22H19ClF5N3O3/c1-10-9-31(30-19(10)11(2)32)17-8-18(34-12(3)22(26,27)28)13(7-16(17)25)21(33)29-20-14(23)5-4-6-15(20)24/h4-9,11-12,32H,1-3H3,(H,29,33)/t11-,12-/m0/s1
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WIPO WO2022070069
n/an/a 0.300n/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 WO2022070069 (2022)

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


(Homo sapiens (Human))
BDBM530463
PNG
((S)-N-(5-Chloro-3-methyl-1H-pyrazol-4-yl)-5-fluoro...)
Show SMILES C[C@H](Oc1cc(c(F)cc1C(=O)Nc1c(C)n[nH]c1Cl)-n1cc(C)c(n1)C(C)(C)O)C(F)(F)F
PDB
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WIPO WO2022070069
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 WO2022070069 (2022)

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


(Homo sapiens (Human))
BDBM530458
PNG
(N-(2-Chloro-6-fluorophenyl)-5-fluoro-4-(3-((R*)-1-...)
Show SMILES C[C@@H](O)c1nn(cc1C)-c1cc(O[C@@H](C)C(F)(F)F)c(cc1F)C(=O)Nc1c(F)cccc1Cl
Show InChI InChI=1S/C22H19ClF5N3O3/c1-10-9-31(30-19(10)11(2)32)17-8-18(34-12(3)22(26,27)28)13(7-16(17)25)21(33)29-20-14(23)5-4-6-15(20)24/h4-9,11-12,32H,1-3H3,(H,29,33)/t11-,12+/m1/s1
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WIPO WO2022070069
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 WO2022070069 (2022)

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


(Homo sapiens (Human))
BDBM530460
PNG
((S)-N-(2-Chloro-6-fluorophenyl)-5-fluoro-4-(3-(2-h...)
Show SMILES C[C@H](Oc1cc(c(F)cc1C(=O)Nc1c(F)cccc1Cl)-n1cc(C)c(n1)C(C)(C)O)C(F)(F)F
Show InChI InChI=1S/C23H21ClF5N3O3/c1-11-10-32(31-20(11)22(3,4)34)17-9-18(35-12(2)23(27,28)29)13(8-16(17)26)21(33)30-19-14(24)6-5-7-15(19)25/h5-10,12,34H,1-4H3,(H,30,33)/t12-/m0/s1
PDB
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WIPO WO2022070069
n/an/a 0.5n/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 WO2022070069 (2022)

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