BindingDB logo
myBDB logout

BDBM50403921 CHEMBL309664

SMILES: ClC1=C(CCCC1=O)OC(=O)C1CC1

InChI Key: InChIKey=TVSQPGAHTWMEFK-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50403921   
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
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)
BDBM50403921
PNG
(CHEMBL309664)
Show SMILES ClC1=C(CCCC1=O)OC(=O)C1CC1 |t:1|
Show InChI InChI=1S/C10H11ClO3/c11-9-7(12)2-1-3-8(9)14-10(13)6-4-5-6/h6H,1-5H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 20n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% inhibition against 4-Hydroxyphenylpyruvate dioxygenase (HPPD) from pig liver; (observed value)


Bioorg Med Chem Lett 12: 2271-5 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GS3
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)
BDBM50403921
PNG
(CHEMBL309664)
Show SMILES ClC1=C(CCCC1=O)OC(=O)C1CC1 |t:1|
Show InChI InChI=1S/C10H11ClO3/c11-9-7(12)2-1-3-8(9)14-10(13)6-4-5-6/h6H,1-5H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of pig liver HPPD using 4-hydroxyphenylpyruvic acid as substrate after 15 mins by spectrophotometric analysis


J Med Chem 60: 4101-4125 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01395
BindingDB Entry DOI: 10.7270/Q2FN18ND
More data for this
Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase


(Sus scrofa)
BDBM50403921
PNG
(CHEMBL309664)
Show SMILES ClC1=C(CCCC1=O)OC(=O)C1CC1 |t:1|
Show InChI InChI=1S/C10H11ClO3/c11-9-7(12)2-1-3-8(9)14-10(13)6-4-5-6/h6H,1-5H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 20n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% inhibition against 4-Hydroxyphenylpyruvate dioxygenase (HPPD) from pig liver


Bioorg Med Chem Lett 12: 2271-5 (2002)


BindingDB Entry DOI: 10.7270/Q25H7GS3
More data for this
Ligand-Target Pair