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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 319.3
BDBM50124367

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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


(Sus scrofa)
BDBM50124367
PNG
(4-Cyclopropanecarbonyl-3-(cyclopropanecarbonyl-ami...)
Show SMILES CCOC(=O)C1CC(=O)C(C(=O)C2CC2)=C(C1)NC(=O)C1CC1 |c:15|
Show InChI InChI=1S/C17H21NO5/c1-2-23-17(22)11-7-12(18-16(21)10-5-6-10)14(13(19)8-11)15(20)9-3-4-9/h9-11H,2-8H2,1H3,(H,18,21)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Tunghai University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required against 4-hydroxyphenylpyruvate dioxygenase (4-HPPD) taken from pig liver


Bioorg Med Chem Lett 13: 927-30 (2003)


BindingDB Entry DOI: 10.7270/Q2NP23SQ
More data for this
Ligand-Target Pair