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Compile Data Set for Download or QSAR

Found 140 hits Enz. Inhib. hit(s) with all data for entry = 10968   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50549950
PNG
(CHEMBL4751541 | US11505536, Example 66)
Show SMILES CCn1c(CO)nn(-c2cc3c(cn(-c4ccccc4F)c(=O)c3cc2F)C(C)=C)c1=O
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n/an/a<0.169n/an/an/an/an/an/a


TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50549954
PNG
(CHEMBL4791380 | US11505536, Example 11)
Show SMILES CCn1c(CO)nn(-c2cc3c(cn(-c4c(F)cccc4Cl)c(=O)c3cc2F)C(C)C)c1=O |(16.55,-8.54,;15.93,-7.13,;14.4,-6.97,;13.63,-5.64,;14.25,-4.23,;15.78,-4.07,;12.12,-5.96,;11.96,-7.49,;10.63,-8.25,;9.3,-7.49,;7.97,-8.25,;6.63,-7.48,;5.29,-8.25,;5.3,-9.79,;3.97,-10.56,;3.97,-12.11,;5.31,-12.88,;2.64,-12.88,;1.3,-12.11,;1.3,-10.57,;2.63,-9.8,;2.63,-8.26,;6.64,-10.56,;6.64,-12.1,;7.96,-9.8,;9.29,-10.57,;10.63,-9.8,;11.96,-10.58,;6.63,-5.94,;7.96,-5.17,;5.3,-5.17,;13.37,-8.11,;13.69,-9.62,)|
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n/an/a 0.222n/an/an/an/an/an/a


TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581533
PNG
(6-(4-Ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-...)
Show SMILES CCn1c(CO)nn(-c2cc3c(cn(-c4ccccc4C)c(=O)c3cc2F)C(=C)C(F)(F)F)c1=O
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n/an/a 0.226n/an/an/an/an/an/a


TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581522
PNG
(2-(2-Chloro-3-methoxyphenyl)-6-(4-ethyl-3-(hydroxy...)
Show SMILES CCn1c(CO)nn(-c2cc3c(cn(-c4cccc(OC)c4Cl)c(=O)c3cc2F)C(C)=C)c1=O
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n/an/a 0.240n/an/an/an/an/an/a


TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50549949
PNG
(CHEMBL4753279 | US11505536, Example 82)
Show SMILES CCn1c(CO)nn(-c2cc3c(cn(-c4cc(F)ccc4C)c(=O)c3cc2F)C(C)=C)c1=O
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n/an/a 0.249n/an/an/an/an/an/a


TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581554
PNG
((R)-6-(4-Ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro...)
Show SMILES CCn1c(CO)nn(-c2cc3c(cn(-c4ccccc4C)c(=O)c3cc2F)[C@@H](C)C(F)(F)F)c1=O |r|
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n/an/a 0.260n/an/an/an/an/an/a


TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50549951
PNG
(CHEMBL4745588 | US11505536, Example 52)
Show SMILES CCn1c(CO)nn(-c2cc3c(cn(-c4c(F)cccc4Cl)c(=O)c3cc2F)C(C)=C)c1=O |(36.41,-17.81,;35.78,-16.4,;34.25,-16.24,;33.48,-14.91,;34.11,-13.5,;35.64,-13.34,;31.98,-15.23,;31.82,-16.76,;30.49,-17.53,;29.15,-16.76,;27.82,-17.52,;26.49,-16.75,;25.15,-17.53,;25.16,-19.06,;23.82,-19.83,;22.49,-19.07,;22.48,-17.53,;21.16,-19.84,;21.16,-21.39,;22.49,-22.16,;23.83,-21.38,;25.16,-22.15,;26.49,-19.83,;26.5,-21.37,;27.82,-19.07,;29.15,-19.84,;30.49,-19.08,;31.82,-19.85,;26.49,-15.21,;27.82,-14.44,;25.15,-14.44,;33.22,-17.39,;33.54,-18.89,)|
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50549952
PNG
(CHEMBL4752247 | US11505536, Example 51)
Show SMILES CCn1c(CO)nn(-c2cc3c(cn(-c4c(F)ccc(OC)c4Cl)c(=O)c3cc2F)C(C)=C)c1=O |(18.24,-18.73,;17.61,-17.33,;16.08,-17.17,;15.31,-15.83,;15.94,-14.43,;17.47,-14.26,;13.81,-16.15,;13.65,-17.69,;12.32,-18.45,;10.99,-17.68,;9.65,-18.45,;8.32,-17.68,;6.98,-18.45,;6.99,-19.99,;5.66,-20.76,;4.32,-20,;4.32,-18.46,;2.99,-20.77,;2.99,-22.31,;4.32,-23.08,;4.33,-24.62,;5.66,-25.39,;5.66,-22.31,;7,-23.08,;8.33,-20.76,;8.33,-22.3,;9.65,-19.99,;10.98,-20.77,;12.32,-20,;13.65,-20.77,;8.32,-16.14,;9.65,-15.37,;6.98,-15.37,;15.05,-18.31,;15.37,-19.82,)|
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581532
PNG
(2-(2-Chloro-6-fluoro-3-methoxyphenyl)-6-(4-ethyl-3...)
Show SMILES CCn1c(CO)nn(-c2cc3c(cn(-c4c(F)ccc(OC)c4Cl)c(=O)c3cc2F)C(C)C)c1=O |(7.77,3.2,;6.87,1.95,;5.33,2.12,;4.56,3.45,;5.19,4.86,;4.29,6.1,;3.06,3.13,;2.9,1.6,;1.56,.83,;.23,1.6,;-1.1,.83,;-2.44,1.6,;-3.77,.83,;-3.77,-.71,;-5.1,-1.48,;-6.44,-.71,;-6.44,.83,;-7.77,-1.48,;-7.77,-3.02,;-6.44,-3.79,;-6.44,-5.33,;-5.1,-6.1,;-5.1,-3.02,;-3.77,-3.79,;-2.44,-1.48,;-2.44,-3.02,;-1.1,-.71,;.23,-1.48,;1.56,-.71,;2.9,-1.48,;-2.44,3.14,;-3.77,3.91,;-1.1,3.91,;4.3,.97,;4.62,-.53,)|
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n/an/a 0.273n/an/an/an/an/an/a


TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581512
PNG
(2-(5-Chloro-3-methyl-1H-pyrazol-4-yl)-6-(4-ethyl-3...)
Show SMILES CCn1c(CO)nn(-c2cc3c(cn(-c4c(C)n[nH]c4Cl)c(=O)c3cc2F)C(C)=C)c1=O |(7.66,2.17,;6.75,.93,;5.22,1.09,;4.45,2.42,;5.08,3.83,;4.17,5.07,;2.94,2.1,;2.78,.57,;1.45,-.2,;.12,.57,;-1.22,-.2,;-2.55,.57,;-3.89,-.2,;-3.89,-1.74,;-5.22,-2.51,;-6.63,-1.88,;-6.95,-.38,;-7.66,-3.03,;-6.89,-4.36,;-5.38,-4.04,;-4.24,-5.07,;-2.55,-2.51,;-2.55,-4.05,;-1.22,-1.74,;.12,-2.51,;1.45,-1.74,;2.78,-2.51,;-2.55,2.11,;-1.22,2.88,;-3.89,2.88,;4.19,-.06,;4.51,-1.56,)|
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581539
PNG
(2-(2,5-Dimethylphenyl)-6-(4-ethyl-3-(hydroxymethyl...)
Show SMILES CCn1c(CO)nn(-c2cc3c(cn(-c4cc(C)ccc4C)c(=O)c3cc2F)C(C)=C)c1=O
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n/an/a 0.292n/an/an/an/an/an/a


TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581479
PNG
(2-(2-Chloro-6-fluorophenyl)-6-(4-ethyl-3-(hydroxym...)
Show SMILES CCn1c(CO)nn(-c2cc3c(nn(-c4c(F)cccc4Cl)c(=O)c3cc2F)C(C)=C)c1=O |(7.7,2.21,;6.93,.88,;5.4,1.04,;4.63,2.37,;5.26,3.78,;4.17,4.87,;3.13,2.05,;2.97,.52,;1.63,-.25,;.3,.52,;-1.04,-.25,;-2.37,.52,;-3.7,-.25,;-3.7,-1.79,;-5.04,-2.56,;-5.04,-4.1,;-3.7,-4.87,;-6.37,-4.87,;-7.7,-4.1,;-7.7,-2.56,;-6.37,-1.79,;-6.37,-.25,;-2.37,-2.56,;-2.37,-4.1,;-1.04,-1.79,;.3,-2.56,;1.63,-1.79,;2.97,-2.56,;-2.37,2.06,;-3.7,2.83,;-1.04,2.83,;4.37,-.11,;4.69,-1.61,)|
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581488
PNG
(6-(2-Chloro-6-fluorophenyl)-2-(4-ethyl-3-(hydroxym...)
Show SMILES CCn1c(CO)nn(-c2nc3c(cn(-c4c(F)cccc4Cl)c(=O)c3cc2F)C(C)C)c1=O |(7.77,2.05,;6.87,.8,;5.33,.96,;4.56,2.29,;5.19,3.7,;4.29,4.95,;3.06,1.97,;2.9,.44,;1.56,-.33,;.23,.44,;-1.1,-.33,;-2.44,.44,;-3.77,-.33,;-3.77,-1.87,;-5.1,-2.64,;-6.44,-1.87,;-6.44,-.33,;-7.77,-2.64,;-7.77,-4.18,;-6.44,-4.95,;-5.1,-4.18,;-3.77,-4.95,;-2.44,-2.64,;-2.44,-4.18,;-1.1,-1.87,;.23,-2.64,;1.56,-1.87,;2.9,-2.64,;-2.44,1.98,;-3.77,2.75,;-1.1,2.75,;4.3,-.18,;4.62,-1.69,)|
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50549953
PNG
(CHEMBL4751399 | US11505536, Example 93)
Show SMILES CCn1c(CO)nn(-c2cc3c(cn(-c4ccccc4C)c(=O)c3cc2F)C(C)C)c1=O
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n/an/a 0.396n/an/an/an/an/an/a


TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581569
PNG
(2-(2-Chlorophenyl)-6-(4-ethyl-3-(hydroxymethyl)-5-...)
Show SMILES CCn1c(CO)nn(-c2cc3c(cn(-c4ccccc4Cl)c(=O)c3cc2F)C(C)C)c1=O
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581506
PNG
(2-(2-Chloro-6-fluorophenyl)-6-(4-ethyl-3-(hydroxym...)
Show SMILES CCn1c(CO)nn(-c2cc3c(nn(-c4c(F)cccc4Cl)c(=O)c3cc2F)C(C)C)c1=O |(7.77,2.05,;6.87,.8,;5.33,.96,;4.56,2.29,;5.19,3.7,;4.29,4.95,;3.06,1.97,;2.9,.44,;1.56,-.33,;.23,.44,;-1.1,-.33,;-2.44,.44,;-3.77,-.33,;-3.77,-1.87,;-5.1,-2.64,;-5.1,-4.18,;-3.77,-4.95,;-6.44,-4.95,;-7.77,-4.18,;-7.77,-2.64,;-6.44,-1.87,;-6.44,-.33,;-2.44,-2.64,;-2.44,-4.18,;-1.1,-1.87,;.23,-2.64,;1.56,-1.87,;2.9,-2.64,;-2.44,1.98,;-3.77,2.75,;-1.1,2.75,;4.3,-.18,;4.62,-1.69,)|
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581521
PNG
(6-(4-Ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-...)
Show SMILES CCn1c(CO)nn(-c2cc3c(cn(-c4c(C)cccc4F)c(=O)c3cc2F)C(C)C)c1=O |(7.77,2.05,;6.87,.8,;5.33,.96,;4.56,2.29,;5.19,3.7,;4.29,4.95,;3.06,1.97,;2.9,.44,;1.56,-.33,;.23,.44,;-1.1,-.33,;-2.44,.44,;-3.77,-.33,;-3.77,-1.87,;-5.1,-2.64,;-5.1,-4.18,;-3.77,-4.95,;-6.44,-4.95,;-7.77,-4.18,;-7.77,-2.64,;-6.44,-1.87,;-6.44,-.33,;-2.44,-2.64,;-2.44,-4.18,;-1.1,-1.87,;.23,-2.64,;1.56,-1.87,;2.9,-2.64,;-2.44,1.98,;-3.77,2.75,;-1.1,2.75,;4.3,-.18,;4.62,-1.69,)|
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581535
PNG
(6-(4-Ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-...)
Show SMILES CCn1c(CO)nn(-c2cc3c(cn(-c4ccccc4OC)c(=O)c3cc2F)C(C)=C)c1=O
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581516
PNG
(6-(4-Ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-...)
Show SMILES CCn1c(CO)nn(-c2cc3c(cn(-c4ccc(F)cc4C)c(=O)c3cc2F)C(C)C)c1=O
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n/an/a 0.459n/an/an/an/an/an/a


TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50549953
PNG
(CHEMBL4751399 | US11505536, Example 93)
Show SMILES CCn1c(CO)nn(-c2cc3c(cn(-c4ccccc4C)c(=O)c3cc2F)C(C)C)c1=O
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581490
PNG
((R)-2-(4-Ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro...)
Show SMILES CCn1c(CO)nn(-c2nc3c(cn(-c4ccccc4C)c(=O)c3cc2F)[C@@H](C)C(F)(F)F)c1=O |r|
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581540
PNG
(Racemic-6-(4-Ethyl-3-(hydroxymethyl)-5-oxo-4,5-dih...)
Show SMILES CCn1c(CO)nn(-c2cc3c(cn(-c4ccccc4C)c(=O)c3cc2F)C(C)C(F)(F)F)c1=O
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581557
PNG
(2-(2-(Difluoromethyl)phenyl)-6-(4-ethyl-3-(hydroxy...)
Show SMILES CCn1c(CO)nn(-c2cc3c(cn(-c4ccccc4C(F)F)c(=O)c3cc2F)C(C)C)c1=O
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581525
PNG
(6-(4-Ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-...)
Show SMILES CCn1c(CO)nn(-c2cc3c(cn(-c4c(C)cccc4F)c(=O)c3cc2F)C(C)=C)c1=O |(7.77,2.05,;6.87,.8,;5.33,.96,;4.56,2.29,;5.19,3.7,;4.29,4.95,;3.06,1.97,;2.9,.44,;1.56,-.33,;.23,.44,;-1.1,-.33,;-2.44,.44,;-3.77,-.33,;-3.77,-1.87,;-5.1,-2.64,;-5.1,-4.18,;-3.77,-4.95,;-6.44,-4.95,;-7.77,-4.18,;-7.77,-2.64,;-6.44,-1.87,;-6.44,-.33,;-2.44,-2.64,;-2.44,-4.18,;-1.1,-1.87,;.23,-2.64,;1.56,-1.87,;2.9,-2.64,;-2.44,1.98,;-1.1,2.75,;-3.77,2.75,;4.3,-.18,;4.62,-1.69,)|
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581527
PNG
(2-(2,5-Dimethylphenyl)-6-(4-ethyl-3-(hydroxymethyl...)
Show SMILES CCn1c(CO)nn(-c2cc3c(cn(-c4cc(C)ccc4C)c(=O)c3cc2F)C(C)C)c1=O
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581519
PNG
(6-(4-Ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-...)
Show SMILES CCn1c(CO)nn(-c2cc3c(cn(-c4cc(F)ccc4C)c(=O)c3cc2F)C(C)C)c1=O
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581513
PNG
(2-(3-Chloro-2-methoxy-5-methylpyridin-4-yl)-6-(4-e...)
Show SMILES CCn1c(CO)nn(-c2cc3c(cn(-c4c(C)cnc(OC)c4Cl)c(=O)c3cc2F)C(C)C)c1=O |(7.63,.55,;7.01,1.95,;5.47,2.12,;4.7,3.45,;5.33,4.86,;4.43,6.1,;3.2,3.13,;3.04,1.6,;1.7,.83,;.37,1.6,;-.96,.83,;-2.3,1.6,;-3.63,.83,;-3.63,-.71,;-4.96,-1.48,;-6.3,-.71,;-6.3,.83,;-7.63,-1.48,;-7.63,-3.02,;-6.3,-3.79,;-6.3,-5.33,;-4.96,-6.1,;-4.96,-3.02,;-3.63,-3.79,;-2.3,-1.48,;-2.3,-3.02,;-.96,-.71,;.37,-1.48,;1.7,-.71,;3.04,-1.48,;-2.3,3.14,;-3.63,3.91,;-.96,3.91,;4.44,.97,;4.76,-.53,)|
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581492
PNG
(2-(4-Ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-...)
Show SMILES CCn1c(CO)nn(-c2nc3c(cn(-c4ccccc4C)c(=O)c3cc2F)C(C)C)c1=O
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581467
PNG
(6-(4-Ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-...)
Show SMILES CCn1c(CO)nn(-c2ccc3c(c2)c(cn(-c2ccccc2C)c3=O)C(C)=C)c1=O
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581555
PNG
(6-(4-Ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-...)
Show SMILES CCn1c(CO)nn(-c2cc3c(cn(-c4ccccc4C(F)(F)F)c(=O)c3cc2F)C(C)C)c1=O
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581466
PNG
(2-(2-Chlorophenyl)-6-(4-ethyl-3-(hydroxymethyl)-5-...)
Show SMILES CCn1c(CO)nn(-c2ccc3c(c2)c(cn(-c2ccccc2Cl)c3=O)C(C)=C)c1=O
PDB
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581498
PNG
(6-(4-Ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-...)
Show SMILES CCn1c(CO)nn(-c2cc3c(cn(-c4ccccc4C)c(=O)c3cc2F)C(C)=C)c1=O
PDB
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581483
PNG
(2-(5-Chloro-3-methyl-1H-pyrazol-4-yl)-6-(4-ethyl-3...)
Show SMILES CCn1c(CO)nn(-c2cc3c(cn(-c4c(C)n[nH]c4Cl)c(=O)c3cc2F)C(C)C)c1=O |(7.59,2.34,;6.82,1,;5.29,1.17,;4.52,2.5,;5.14,3.91,;4.05,4.99,;3.01,2.18,;2.85,.65,;1.52,-.12,;.18,.65,;-1.15,-.12,;-2.48,.65,;-3.82,-.12,;-3.82,-1.66,;-5.15,-2.43,;-6.57,-1.77,;-6.89,-.26,;-7.59,-2.95,;-6.82,-4.28,;-5.31,-3.96,;-4.17,-4.99,;-2.48,-2.43,;-2.48,-3.97,;-1.15,-1.66,;.18,-2.43,;1.52,-1.66,;2.85,-2.43,;-2.48,2.19,;-1.15,2.96,;-3.82,2.96,;4.26,.02,;4.58,-1.49,)|
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581547
PNG
(6-(4-Ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-...)
Show SMILES CCn1c(CO)nn(-c2cc3c(cn(-c4ccccc4OC)c(=O)c3cc2F)C(C)C)c1=O
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581505
PNG
(6-(4-Ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-...)
Show SMILES CCn1c(CO)nn(-c2cc3c(nn(-c4ccccc4C)c(=O)c3cc2F)C(C)C)c1=O
PDB
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581492
PNG
(2-(4-Ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-...)
Show SMILES CCn1c(CO)nn(-c2nc3c(cn(-c4ccccc4C)c(=O)c3cc2F)C(C)C)c1=O
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581514
PNG
(2-(3-Chloro-2-methoxy-5-methylpyridin-4-yl)-6-(4-e...)
Show SMILES CCn1c(CO)nn(-c2cc3c(cn(-c4c(C)cnc(OC)c4Cl)c(=O)c3cc2F)C(C)=C)c1=O |(7.77,3.2,;6.87,1.95,;5.33,2.12,;4.56,3.45,;5.19,4.86,;4.29,6.1,;3.06,3.13,;2.9,1.6,;1.56,.83,;.23,1.6,;-1.1,.83,;-2.44,1.6,;-3.77,.83,;-3.77,-.71,;-5.1,-1.48,;-6.44,-.71,;-6.44,.83,;-7.77,-1.48,;-7.77,-3.02,;-6.44,-3.79,;-6.44,-5.33,;-5.1,-6.1,;-5.1,-3.02,;-3.77,-3.79,;-2.44,-1.48,;-2.44,-3.02,;-1.1,-.71,;.23,-1.48,;1.56,-.71,;2.9,-1.48,;-2.44,3.14,;-1.1,3.91,;-3.77,3.91,;4.3,.97,;4.62,-.53,)|
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581460
PNG
(2-(2,6-Dichlorophenyl)-6-(4-ethyl-3-(hydroxymethyl...)
Show SMILES CCn1c(CO)nn(-c2ccc3c(c2)c(cn(-c2c(Cl)cccc2Cl)c3=O)C(C)=C)c1=O |(7.67,-.16,;6.9,1.17,;5.36,1.17,;4.46,2.41,;4.86,3.9,;3.77,4.99,;2.99,1.94,;2.99,.4,;1.66,-.37,;1.66,-1.91,;.33,-2.68,;-1.01,-1.91,;-1.01,-.37,;.33,.4,;-2.34,.4,;-3.67,-.37,;-3.67,-1.91,;-5.01,-2.68,;-6.34,-1.91,;-6.34,-.37,;-7.67,-2.68,;-7.67,-4.22,;-6.34,-4.99,;-5.01,-4.22,;-3.67,-4.99,;-2.34,-2.68,;-2.34,-4.22,;-2.34,1.94,;-3.67,2.71,;-1.01,2.71,;4.46,-.08,;4.94,-1.54,)|
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581582
PNG
(2-(4-Ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-...)
Show SMILES CCn1c(CO)nn(-c2nc3c(cn(-c4ccccc4OC)c(=O)c3cc2F)C(C)C)c1=O
PDB
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581500
PNG
(US11505536, Example 48 | racemic-4-(sec-Butyl)-2-(...)
Show SMILES CCC(C)c1cn(-c2c(F)cccc2Cl)c(=O)c2cc(F)c(cc12)-n1nc(CO)n(CC)c1=O |(-.95,4.29,;-.95,2.75,;-2.29,1.98,;-3.62,2.75,;-2.29,.44,;-3.62,-.33,;-3.62,-1.87,;-4.95,-2.64,;-4.95,-4.18,;-3.62,-4.95,;-6.29,-4.95,;-7.62,-4.18,;-7.62,-2.64,;-6.29,-1.87,;-6.29,-.33,;-2.29,-2.64,;-2.29,-4.18,;-.95,-1.87,;.38,-2.64,;1.71,-1.87,;3.05,-2.64,;1.71,-.33,;.38,.44,;-.95,-.33,;3.05,.44,;3.21,1.97,;4.71,2.29,;5.34,3.7,;4.44,4.95,;5.48,.96,;7.02,.8,;7.62,-.62,;4.45,-.18,;4.77,-1.69,)|
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581495
PNG
(2-(2-Chloro-5-methylphenyl)-6-(4-ethyl-3-(hydroxym...)
Show SMILES CCn1c(CO)nn(-c2cc3c(cn(-c4cc(C)ccc4Cl)c(=O)c3cc2F)C(C)=C)c1=O
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581524
PNG
(2-(2,5-Difluorophenyl)-6-(4-ethyl-3-(hydroxymethyl...)
Show SMILES CCn1c(CO)nn(-c2cc3c(cn(-c4cc(F)ccc4F)c(=O)c3cc2F)C(C)=C)c1=O
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581459
PNG
(2-(2,6-Dichlorophenyl)-6-(4-ethyl-3-(hydroxymethyl...)
Show SMILES CCn1c(CO)nn(-c2ccc3c(c2)c(cn(-c2c(Cl)cccc2Cl)c3=O)C2(C)CC2)c1=O |(7.67,-.16,;6.9,1.17,;5.36,1.17,;4.46,2.41,;4.86,3.9,;3.77,4.99,;2.99,1.94,;2.99,.4,;1.66,-.37,;1.66,-1.91,;.33,-2.68,;-1.01,-1.91,;-1.01,-.37,;.33,.4,;-2.34,.4,;-3.67,-.37,;-3.67,-1.91,;-5.01,-2.68,;-6.34,-1.91,;-6.34,-.37,;-7.67,-2.68,;-7.67,-4.22,;-6.34,-4.99,;-5.01,-4.22,;-3.67,-4.99,;-2.34,-2.68,;-2.34,-4.22,;-2.34,1.94,;-3.67,2.71,;-1.01,2.71,;-2.34,3.48,;4.46,-.08,;4.94,-1.54,)|
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581484
PNG
(2-(4-Ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-...)
Show SMILES CCn1c(CO)nn(-c2nc3c(cn(-c4ccccc4C)c(=O)c3cc2F)C(C)=C)c1=O
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581501
PNG
(2-(3-Chloro-6-methoxypyridin-2-yl)-6-(4-ethyl-3-(h...)
Show SMILES CCn1c(CO)nn(-c2cc3c(cn(-c4nc(OC)ccc4Cl)c(=O)c3cc2F)C(C)C)c1=O
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581590
PNG
(6-(2-(Difluoromethyl)phenyl)-2-(4-ethyl-3-(hydroxy...)
Show SMILES CCn1c(CO)nn(-c2nc3c(cn(-c4ccccc4C(F)F)c(=O)c3cc2F)C(C)C)c1=O
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581487
PNG
(6-(2-Chloro-6-fluorophenyl)-2-(4-ethyl-3-(hydroxym...)
Show SMILES CCn1c(CO)nn(-c2nc3c(cn(-c4c(F)cccc4Cl)c(=O)c3cc2F)C(C)=C)c1=O |(7.77,2.05,;6.87,.8,;5.33,.96,;4.56,2.29,;5.19,3.7,;4.29,4.95,;3.06,1.97,;2.9,.44,;1.56,-.33,;.23,.44,;-1.1,-.33,;-2.44,.44,;-3.77,-.33,;-3.77,-1.87,;-5.1,-2.64,;-6.44,-1.87,;-6.44,-.33,;-7.77,-2.64,;-7.77,-4.18,;-6.44,-4.95,;-5.1,-4.18,;-3.77,-4.95,;-2.44,-2.64,;-2.44,-4.18,;-1.1,-1.87,;.23,-2.64,;1.56,-1.87,;2.9,-2.64,;-2.44,1.98,;-1.1,2.75,;-3.77,2.75,;4.3,-.18,;4.62,-1.69,)|
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581509
PNG
((R*)-6-(4-Ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydr...)
Show SMILES CCn1c(CO)nn(-c2cc3c(nn(-c4ccccc4C)c(=O)c3cc2F)[C@@H](C)C(F)(F)F)c1=O |r|
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581538
PNG
(6-(4-Ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-...)
Show SMILES CCn1c(CO)nn(-c2cc3c(cn(-c4cccc(F)c4C)c(=O)c3cc2F)C(C)=C)c1=O
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n/an/a 1.19n/an/an/an/an/an/a


TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM581553
PNG
((S)-6-(4-Ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro...)
Show SMILES CCn1c(CO)nn(-c2cc3c(cn(-c4ccccc4C)c(=O)c3cc2F)[C@H](C)C(F)(F)F)c1=O |r|
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TBA

Assay Description
The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8Z24
More data for this
Ligand-Target Pair
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