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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 240.2
BDBM50505283
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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)
BDBM50505283
PNG
(CHEMBL4513435)
Show SMILES OC(=O)\C=C\c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C15H12O3/c16-15(17)10-9-12-5-4-8-14(11-12)18-13-6-2-1-3-7-13/h1-11H,(H,16,17)/b10-9+
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.90E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of soya bean LOX assessed as reduction in formation of 13-hydroperoxylinoleic acid using sodium linoleate as substrate


J Med Chem 62: 8881-8914 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00017
BindingDB Entry DOI: 10.7270/Q27084PF
More data for this
Ligand-Target Pair