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BDBM50359708 CHEMBL1929452

SMILES: CCC(=O)C(C#N)C(=O)Nc1ccc(-c2cccc(OC(F)F)c2)c(c1)C(=O)OC

InChI Key: InChIKey=GCCKXEYKXIUXDW-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50359708   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50359708
PNG
(CHEMBL1929452)
Show SMILES CCC(=O)C(C#N)C(=O)Nc1ccc(-c2cccc(OC(F)F)c2)c(c1)C(=O)OC
Show InChI InChI=1S/C21H18F2N2O5/c1-3-18(26)17(11-24)19(27)25-13-7-8-15(16(10-13)20(28)29-2)12-5-4-6-14(9-12)30-21(22)23/h4-10,17,21H,3H2,1-2H3,(H,25,27)
PDB
MMDB

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Similars

Article
PubMed
n/an/a 34n/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