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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50359695   
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))
BDBM50359695
PNG
(CHEMBL1929439)
Show SMILES CCC(=O)C(C#N)C(=O)Nc1ccc(-c2cccc(OC(F)(F)F)c2)c(c1)C(=O)OC
Show InChI InChI=1S/C21H17F3N2O5/c1-3-18(27)17(11-25)19(28)26-13-7-8-15(16(10-13)20(29)30-2)12-5-4-6-14(9-12)31-21(22,23)24/h4-10,17H,3H2,1-2H3,(H,26,28)
PDB
MMDB

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Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase


Bioorg Med Chem Lett 21: 7268-72 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.052
BindingDB Entry DOI: 10.7270/Q2N87B6R
More data for this
Ligand-Target Pair