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Compile Data Set for Download or QSAR

Found 64 hits with Last Name = 'kazmi' and Initial = 'f'   
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))
BDBM50554026
PNG
(CHEMBL4744558)
Show SMILES CONC(=O)c1c(C)c(nc2ccc(F)cc12)-c1ccc(cc1)-c1ccccc1F
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Article
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n/an/a 0.120n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHODH


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127589
BindingDB Entry DOI: 10.7270/Q29G5RGH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50598905
PNG
(CHEMBL5180161)
Show SMILES CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(F)cccc2Cl)c1=O |r|
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n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00788
BindingDB Entry DOI: 10.7270/Q26M3BWM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50598923
PNG
(CHEMBL5193821)
Show SMILES CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(C)cnc(OC)c2Cl)c1=O |r|
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n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00788
BindingDB Entry DOI: 10.7270/Q26M3BWM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50598917
PNG
(CHEMBL5171223)
Show SMILES CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(Cl)ccnc2OC)c1=O |r|
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n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00788
BindingDB Entry DOI: 10.7270/Q26M3BWM
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM15339
PNG
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F
Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)
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n/an/a 0.480n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHODH


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127589
BindingDB Entry DOI: 10.7270/Q29G5RGH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50598902
PNG
(CHEMBL5187184)
Show SMILES CCn1c(CO)nn(-c2nc(OC(C)C)c(cc2F)C(=O)Nc2c(F)cccc2Cl)c1=O
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n/an/a 0.5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00788
BindingDB Entry DOI: 10.7270/Q26M3BWM
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50598922
PNG
(CHEMBL5186161)
Show SMILES CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(C)cnc(OC)c2C)c1=O |r|
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n/an/a 0.560n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00788
BindingDB Entry DOI: 10.7270/Q26M3BWM
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50598915
PNG
(CHEMBL5198030)
Show SMILES CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(Cl)ccnc2Cl)c1=O |r|
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n/an/a 0.600n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00788
BindingDB Entry DOI: 10.7270/Q26M3BWM
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50598926
PNG
(CHEMBL5206111)
Show SMILES CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(C)cc(OC)nc2Cl)c1=O |r|
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n/an/a 0.800n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00788
BindingDB Entry DOI: 10.7270/Q26M3BWM
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50598920
PNG
(CHEMBL5209113)
Show SMILES CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(F)cnc(OC)c2Cl)c1=O |r|
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n/an/a 1.10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00788
BindingDB Entry DOI: 10.7270/Q26M3BWM
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50598913
PNG
(CHEMBL5193591)
Show SMILES CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(C)ccnc2Cl)c1=O |r|
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n/an/a 1.10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00788
BindingDB Entry DOI: 10.7270/Q26M3BWM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial


(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 |r|
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 1.20n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00788
BindingDB Entry DOI: 10.7270/Q26M3BWM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50554025
PNG
(CHEMBL4759615)
Show SMILES Cc1c(nc2ccc(F)cc2c1C(=O)NO)-c1ccc(cc1)-c1ccccc1F
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n/an/a 1.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHODH


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127589
BindingDB Entry DOI: 10.7270/Q29G5RGH
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50598914
PNG
(CHEMBL5197263)
Show SMILES CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(C)nccc2Cl)c1=O |r|
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n/an/a 1.90n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00788
BindingDB Entry DOI: 10.7270/Q26M3BWM
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50598919
PNG
(CHEMBL5176109)
Show SMILES CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(F)cncc2Cl)c1=O |r|
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n/an/a 2.30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00788
BindingDB Entry DOI: 10.7270/Q26M3BWM
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50598916
PNG
(CHEMBL5205042)
Show SMILES CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(C)ccnc2C(F)F)c1=O |r|
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n/an/a 2.40n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00788
BindingDB Entry DOI: 10.7270/Q26M3BWM
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50598918
PNG
(CHEMBL5207423)
Show SMILES CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(C)ccnc2F)c1=O |r|
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n/an/a 2.40n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00788
BindingDB Entry DOI: 10.7270/Q26M3BWM
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50598910
PNG
(CHEMBL5197809)
Show SMILES CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2cccnc2Cl)c1=O |r|
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n/an/a 2.80n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00788
BindingDB Entry DOI: 10.7270/Q26M3BWM
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50554027
PNG
(CHEMBL4797708)
Show SMILES CCONC(=O)c1c(C)c(nc2ccc(F)cc12)-c1ccc(cc1)-c1ccccc1F
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n/an/a 4.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHODH


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127589
BindingDB Entry DOI: 10.7270/Q29G5RGH
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50598908
PNG
(CHEMBL5193091)
Show SMILES CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2cnccc2Cl)c1=O |r|
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n/an/a 4.70n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00788
BindingDB Entry DOI: 10.7270/Q26M3BWM
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50598907
PNG
(CHEMBL5178023)
Show SMILES CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2ncccc2Cl)c1=O |r|
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n/an/a 5.20n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00788
BindingDB Entry DOI: 10.7270/Q26M3BWM
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50598912
PNG
(CHEMBL5170313)
Show SMILES CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2cc(C)cnc2Cl)c1=O |r|
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n/an/a 5.70n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00788
BindingDB Entry DOI: 10.7270/Q26M3BWM
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50598906
PNG
(CHEMBL5181951)
Show SMILES CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2ccccc2F)c1=O |r|
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n/an/a 6.10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00788
BindingDB Entry DOI: 10.7270/Q26M3BWM
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50554028
PNG
(CHEMBL4759152)
Show SMILES CN(O)C(=O)c1c(C)c(nc2ccc(F)cc12)-c1ccc(cc1)-c1ccccc1F
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n/an/a 7.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHODH


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127589
BindingDB Entry DOI: 10.7270/Q29G5RGH
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50598924
PNG
(CHEMBL5201357)
Show SMILES CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2cc(OC)ncc2C)c1=O |r|
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n/an/a 10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00788
BindingDB Entry DOI: 10.7270/Q26M3BWM
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Mus musculus)
BDBM50598923
PNG
(CHEMBL5193821)
Show SMILES CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(C)cnc(OC)c2Cl)c1=O |r|
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n/an/a 10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00788
BindingDB Entry DOI: 10.7270/Q26M3BWM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50598925
PNG
(CHEMBL5197655)
Show SMILES CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2ccnc(OC)c2Cl)c1=O |r|
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n/an/a 11n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00788
BindingDB Entry DOI: 10.7270/Q26M3BWM
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50598911
PNG
(CHEMBL5184263)
Show SMILES CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2ccc(C)nc2Cl)c1=O |r|
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n/an/a 14n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00788
BindingDB Entry DOI: 10.7270/Q26M3BWM
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50598921
PNG
(CHEMBL5209156)
Show SMILES CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(F)cnc(OC)c2C#N)c1=O |r|
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n/an/a 16n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00788
BindingDB Entry DOI: 10.7270/Q26M3BWM
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50598904
PNG
(CHEMBL5193667)
Show SMILES CCn1c(CO)nn(-c2nc(OC3CC(F)(F)C3(F)F)c(cc2F)C(=O)Nc2c(F)cccc2Cl)c1=O
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00788
BindingDB Entry DOI: 10.7270/Q26M3BWM
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50598909
PNG
(CHEMBL5175690)
Show SMILES CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2ccncc2Cl)c1=O |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00788
BindingDB Entry DOI: 10.7270/Q26M3BWM
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50598903
PNG
(CHEMBL5189556)
Show SMILES CCn1c(CO)nn(-c2nc(OC3CCOC3)c(cc2F)C(=O)Nc2c(F)cccc2Cl)c1=O
PDB
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00788
BindingDB Entry DOI: 10.7270/Q26M3BWM
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50554024
PNG
(CHEMBL4762268)
Show SMILES Cc1c(nc2ccc(F)cc2c1C(=O)NS(C)(=O)=O)-c1ccc(cc1)-c1ccccc1F
PDB
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n/an/a 32n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHODH


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127589
BindingDB Entry DOI: 10.7270/Q29G5RGH
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50554021
PNG
(CHEMBL4760819)
Show SMILES Cc1c(nc2ccc(F)cc2c1C(N)=O)-c1ccc(cc1)-c1ccccc1F
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n/an/a 47n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHODH


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127589
BindingDB Entry DOI: 10.7270/Q29G5RGH
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50554018
PNG
(CHEMBL4785347)
Show SMILES Cc1c(nc2ccc(F)cc2c1C(=O)C(F)(F)F)-c1ccc(cc1)-c1ccccc1F
PDB
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n/an/a 74n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHODH


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127589
BindingDB Entry DOI: 10.7270/Q29G5RGH
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50554022
PNG
(CHEMBL4743387)
Show SMILES Cc1c(nc2ccc(F)cc2c1C(=O)NC#N)-c1ccc(cc1)-c1ccccc1F
PDB
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n/an/a 116n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHODH


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127589
BindingDB Entry DOI: 10.7270/Q29G5RGH
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Rattus norvegicus (rat))
BDBM50598923
PNG
(CHEMBL5193821)
Show SMILES CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(C)cnc(OC)c2Cl)c1=O |r|
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n/an/a 130n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00788
BindingDB Entry DOI: 10.7270/Q26M3BWM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Mus musculus)
BDBM50598913
PNG
(CHEMBL5193591)
Show SMILES CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(C)ccnc2Cl)c1=O |r|
PDB
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00788
BindingDB Entry DOI: 10.7270/Q26M3BWM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50554016
PNG
(CHEMBL4748668)
Show SMILES Cc1c(nc2ccc(F)cc2c1C(F)F)-c1ccc(cc1)-c1ccccc1F
PDB
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n/an/a 160n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHODH


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127589
BindingDB Entry DOI: 10.7270/Q29G5RGH
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50554015
PNG
(CHEMBL4799525)
Show SMILES Cc1c(CO)c2cc(F)ccc2nc1-c1ccc(cc1)-c1ccccc1F
PDB
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n/an/a 166n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHODH


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127589
BindingDB Entry DOI: 10.7270/Q29G5RGH
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50554019
PNG
(CHEMBL4788745)
Show SMILES Cc1c(nc2ccc(F)cc2c1-c1nnn[nH]1)-c1ccc(cc1)-c1ccccc1F
PDB
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n/an/a 223n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHODH


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127589
BindingDB Entry DOI: 10.7270/Q29G5RGH
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50598901
PNG
(CHEMBL5201472)
Show SMILES CCn1c(CO)nn(-c2nc(SC(C)C)c(cc2F)C(=O)Nc2c(F)cccc2Cl)c1=O
PDB
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n/an/a 302n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00788
BindingDB Entry DOI: 10.7270/Q26M3BWM
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50554017
PNG
(CHEMBL4793693)
Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)C(F)(F)F)-c1ccc(cc1)-c1ccccc1F
PDB
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n/an/a 808n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHODH


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127589
BindingDB Entry DOI: 10.7270/Q29G5RGH
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50554023
PNG
(CHEMBL4758872)
Show SMILES COC(=O)NC(=O)c1c(C)c(nc2ccc(F)cc12)-c1ccc(cc1)-c1ccccc1F
PDB
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n/an/a 1.25E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHODH


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127589
BindingDB Entry DOI: 10.7270/Q29G5RGH
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50598899
PNG
(CHEMBL5199042)
Show SMILES CCC(C)Nc1nccc(n1)-c1cnc2sc(C)cn2c1=O
PDB
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n/an/a 1.40E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00788
BindingDB Entry DOI: 10.7270/Q26M3BWM
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50554020
PNG
(CHEMBL4763950)
Show SMILES Cc1c(nc2ccc(F)cc2c1-c1noc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1F
PDB
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n/an/a 1.56E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DHODH


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127589
BindingDB Entry DOI: 10.7270/Q29G5RGH
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Rattus norvegicus (rat))
BDBM50598913
PNG
(CHEMBL5193591)
Show SMILES CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(C)ccnc2Cl)c1=O |r|
PDB
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n/an/a 1.58E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00788
BindingDB Entry DOI: 10.7270/Q26M3BWM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50598900
PNG
(CHEMBL5191554)
Show SMILES CCn1c(CO)nn(-c2nc(NC(C)C)c(cc2F)C(=O)Nc2c(F)cccc2Cl)c1=O
PDB
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n/an/a 3.60E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00788
BindingDB Entry DOI: 10.7270/Q26M3BWM
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50598923
PNG
(CHEMBL5193821)
Show SMILES CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(C)cnc(OC)c2Cl)c1=O |r|
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00788
BindingDB Entry DOI: 10.7270/Q26M3BWM
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50598913
PNG
(CHEMBL5193591)
Show SMILES CCn1c(CO)nn(-c2nc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(C)ccnc2Cl)c1=O |r|
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00788
BindingDB Entry DOI: 10.7270/Q26M3BWM
More data for this
Ligand-Target Pair
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