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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Seed linoleate 13S-lipoxygenase-1' and Ligand = 'BDBM50489110'   
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
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM50489110
PNG
(CHEMBL2296823)
Show SMILES CCCc1nc(nc2Sc3ccccc3Nc12)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C23H25N5S/c1-2-8-19-21-22(29-20-12-7-6-11-18(20)24-21)26-23(25-19)28-15-13-27(14-16-28)17-9-4-3-5-10-17/h3-7,9-12,24H,2,8,13-16H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
1.16E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Glycine max (soybean) 15-lipoxygenase activity assessed as decrease in peroxide formation using linoleic acid as substrate preincubated...


Citation and Details

Article DOI: 10.1007/s00044-013-0506-7
BindingDB Entry DOI: 10.7270/Q2M90CKG
More data for this
Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM50489110
PNG
(CHEMBL2296823)
Show SMILES CCCc1nc(nc2Sc3ccccc3Nc12)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C23H25N5S/c1-2-8-19-21-22(29-20-12-7-6-11-18(20)24-21)26-23(25-19)28-15-13-27(14-16-28)17-9-4-3-5-10-17/h3-7,9-12,24H,2,8,13-16H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 4.04E+5n/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of Glycine max (soybean) 15-lipoxygenase activity using linoleic acid as substrate by Lineweaver-burk plot analysis


Citation and Details

Article DOI: 10.1007/s00044-013-0506-7
BindingDB Entry DOI: 10.7270/Q2M90CKG
More data for this
Ligand-Target Pair