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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 244.2
BDBM50531968

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
Lipoxygenase


(Glycine max)
BDBM50531968
PNG
(CHEMBL4575147)
Show SMILES CC(C)(C)[N+](\[O-])=C\c1cc2ccccc2nc1O
Show InChI InChI=1S/C14H16N2O2/c1-14(2,3)16(18)9-11-8-10-6-4-5-7-12(10)15-13(11)17/h4-9H,1-3H3,(H,15,17)/b16-9-
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.65E+4n/an/an/an/an/an/a



IQOG, CSIC

Curated by ChEMBL


Assay Description
Inhibition of soybean lipoxygenase using sodium linoleate as substrate by UV-based analysis


J Med Chem 62: 2184-2201 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01987
BindingDB Entry DOI: 10.7270/Q2MC93HC
More data for this
Ligand-Target Pair