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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydroorotate dehydrogenase' and Ligand = 'BDBM16114'   
Target
(Institution)
LigandTarget
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


(Homo sapiens (Human))
BDBM16114
PNG
(3-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}t...)
Show SMILES COc1cccc(c1)-c1ccc(NC(=O)c2ccsc2C(O)=O)c(F)c1
Show InChI InChI=1S/C19H14FNO4S/c1-25-13-4-2-3-11(9-13)12-5-6-16(15(20)10-12)21-18(22)14-7-8-26-17(14)19(23)24/h2-10H,1H3,(H,21,22)(H,23,24)
PDB
MMDB

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Article
PubMed
n/an/a 44n/an/an/an/a8.030



4SC AG



Assay Description
The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...


J Med Chem 49: 1239-47 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)