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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '4-hydroxyphenylpyruvate dioxygenase' and Ligand = 'BDBM50024730'   
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
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens (Human))
BDBM50024730
PNG
(CHEMBL3342429)
Show SMILES Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccc(Cl)cc3C)c(=O)c2c1 |(40.51,-51.09,;39.34,-50.08,;37.84,-50.44,;37.05,-49.12,;35.52,-48.99,;38.05,-47.95,;37.7,-46.45,;39.48,-48.55,;40.79,-47.75,;40.76,-46.21,;42.14,-48.49,;42.17,-50.04,;43.52,-50.78,;44.83,-49.99,;46.19,-50.73,;47.52,-49.93,;48.87,-50.67,;47.48,-48.38,;48.8,-47.58,;50.14,-48.32,;51.46,-47.52,;51.42,-45.98,;52.74,-45.18,;50.06,-45.24,;48.75,-46.04,;47.4,-45.31,;46.12,-47.63,;46.08,-46.09,;44.8,-48.44,;43.45,-47.7,)|
Show InChI InChI=1S/C22H19ClN4O3/c1-11-9-15(23)6-8-18(11)27-13(3)24-17-7-5-14(10-16(17)21(27)29)20(28)19-12(2)25-26(4)22(19)30/h5-10,30H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
177n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...


Bioorg Med Chem 22: 5194-211 (2014)


Article DOI: 10.1016/j.bmc.2014.08.011
BindingDB Entry DOI: 10.7270/Q2DF6SRG
More data for this
Ligand-Target Pair