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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydroorotate dehydrogenase (quinone), mitochondrial' and Ligand = 'BDBM50359703'   
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))
BDBM50359703
PNG
(CHEMBL1929447)
Show SMILES CCC(=O)C(C#N)C(=O)Nc1ccc(c(c1)C(=O)OC)-c1ccc(F)cc1OC
Show InChI InChI=1S/C21H19FN2O5/c1-4-18(25)17(11-23)20(26)24-13-6-8-14(16(10-13)21(27)29-3)15-7-5-12(22)9-19(15)28-2/h5-10,17H,4H2,1-3H3,(H,24,26)
PDB
MMDB

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Article
PubMed
n/an/a 66n/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