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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid lipoxygenase ALOX12' and Ligand = 'BDBM50025735'   
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
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50025735
PNG
((5Z,8Z,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic a...)
Show SMILES CCCCCC(=O)C=CC=CC\C=C/C\C=C/CCCC(O)=O |w:9.8,7.6|
Show InChI InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9?,17-14?
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KEGG

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PC cid
PC sid
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Similars

Article
PubMed
87n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Mixed type inhibition of human platelet 12-lipoxygenase assessed as equilibrium inhibitor constant of dissociation from enzyme by measuring 12-HpETE ...


Bioorg Med Chem 22: 4293-7 (2014)


Article DOI: 10.1016/j.bmc.2014.05.025
BindingDB Entry DOI: 10.7270/Q2NP2613
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50025735
PNG
((5Z,8Z,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic a...)
Show SMILES CCCCCC(=O)C=CC=CC\C=C/C\C=C/CCCC(O)=O |w:9.8,7.6|
Show InChI InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9?,17-14?
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human platelet 12-lipoxygenase by UV-visible spectrophotometry


Bioorg Med Chem 22: 4293-7 (2014)


Article DOI: 10.1016/j.bmc.2014.05.025
BindingDB Entry DOI: 10.7270/Q2NP2613
More data for this
Ligand-Target Pair