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PubMed code 21109332

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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Rattus norvegicus (rat))
BDBM14712
PNG
((2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)pheny...)
Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,10H,1H3,(H,17,19)
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Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Universit£ di Torino

Curated by ChEMBL


Assay Description
Inhibition of DHODH in Wistar rat liver homogenates by DCIP reduction assay


Eur J Med Chem 46: 383-92 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.029
BindingDB Entry DOI: 10.7270/Q2SQ90NX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Rattus norvegicus (rat))
BDBM50054601
PNG
(5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazole...)
Show SMILES Cc1oncc1C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)
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Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Universit£ di Torino

Curated by ChEMBL


Assay Description
Inhibition of DHODH in Wistar rat liver homogenates by DCIP reduction assay


Eur J Med Chem 46: 383-92 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.029
BindingDB Entry DOI: 10.7270/Q2SQ90NX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Rattus norvegicus (rat))
BDBM50335631
PNG
(2-Nitro-3-oxo-3-[(4-trifluoromethyl)phenyl]aminopr...)
Show SMILES [O-][N+](=O)C(=C=[N-])C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C10H5F3N3O3/c11-10(12,13)6-1-3-7(4-2-6)15-9(17)8(5-14)16(18)19/h1-4H,(H,15,17)/q-1
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PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



Universit£ di Torino

Curated by ChEMBL


Assay Description
Inhibition of DHODH in Wistar rat liver homogenates by DCIP reduction assay


Eur J Med Chem 46: 383-92 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.029
BindingDB Entry DOI: 10.7270/Q2SQ90NX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Rattus norvegicus (rat))
BDBM50335629
PNG
(2-Nitro-3-oxo-3-(biphenyl-4-yl)aminopropionitrile ...)
Show SMILES [O-][N+](=O)C(=C=[N-])C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C15H10N3O3/c16-10-14(18(20)21)15(19)17-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,(H,17,19)/q-1
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n/an/a 2.60E+4n/an/an/an/an/an/a



Universit£ di Torino

Curated by ChEMBL


Assay Description
Inhibition of DHODH in Wistar rat liver homogenates by DCIP reduction assay


Eur J Med Chem 46: 383-92 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.029
BindingDB Entry DOI: 10.7270/Q2SQ90NX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Rattus norvegicus (rat))
BDBM50335630
PNG
(2-Hydroxyimino-3-oxo-3-[4-(trifluoromethyl)phenyl]...)
Show SMILES FC(F)(F)c1ccc(NC(=O)C(N=O)C#N)cc1
Show InChI InChI=1S/C10H6F3N3O2/c11-10(12,13)6-1-3-7(4-2-6)15-9(17)8(5-14)16-18/h1-4,8H,(H,15,17)
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Article
PubMed
n/an/a 6.00E+4n/an/an/an/an/an/a



Universit£ di Torino

Curated by ChEMBL


Assay Description
Inhibition of DHODH in Wistar rat liver homogenates by DCIP reduction assay


Eur J Med Chem 46: 383-92 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.029
BindingDB Entry DOI: 10.7270/Q2SQ90NX
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Rattus norvegicus (rat))
BDBM50335632
PNG
(2-Nitro-3-(4-nitrophenyl)amino-3-oxopropionitrile ...)
Show SMILES [O-][N+](=O)C(=C=[N-])C(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C9H5N4O5/c10-5-8(13(17)18)9(14)11-6-1-3-7(4-2-6)12(15)16/h1-4H,(H,11,14)/q-1
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PubMed
n/an/a 7.40E+4n/an/an/an/an/an/a



Universit£ di Torino

Curated by ChEMBL


Assay Description
Inhibition of DHODH in Wistar rat liver homogenates by DCIP reduction assay


Eur J Med Chem 46: 383-92 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.029
BindingDB Entry DOI: 10.7270/Q2SQ90NX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%