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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for UniProtKB: P39654   
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
Polyunsaturated fatty acid lipoxygenase ALOX15


(Mus musculus)
BDBM50085045
PNG
(5-((4-((6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-...)
Show SMILES Cc1c(C)c2OC(C)(COc3ccc(Cc4sc(=O)[nH]c4O)cc3)CCc2c(C)c1O
Show InChI InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,26-27H,9-12H2,1-4H3,(H,25,28)
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Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of 15-LOX-mediated lipid oxidation in 10% C57BL/6J mouse plasma


Bioorg Med Chem Lett 26: 5411-5417 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.033
BindingDB Entry DOI: 10.7270/Q2SQ92BQ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Mus musculus)
BDBM50200541
PNG
(CHEBI:31530 | Edaravone | MCI-186 | Radicava | Rad...)
Show SMILES CC1=NN(C(=O)C1)c1ccccc1 |t:1|
Show InChI InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
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KEGG
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PC sid
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Article
PubMed
n/an/a 3.40E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of 15-LOX-mediated lipid oxidation in 10% C57BL/6J mouse plasma


Bioorg Med Chem Lett 26: 5411-5417 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.033
BindingDB Entry DOI: 10.7270/Q2SQ92BQ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Mus musculus)
BDBM50350396
PNG
(CHEMBL1573436)
Show SMILES CC(=O)NC(c1cccs1)c1cc(Br)c2cccnc2c1O
Show InChI InChI=1S/C16H13BrN2O2S/c1-9(20)19-14(13-5-3-7-22-13)11-8-12(17)10-4-2-6-18-15(10)16(11)21/h2-8,14,21H,1H3,(H,19,20)
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Article
PubMed
n/an/a>1.50E+5n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse N-terminally His6-tagged 15-lipoxygenase expressed in SF9 insect cells assessed as 15-HPETE formation using arachidonic acid by U...


J Med Chem 54: 5485-97 (2011)


Article DOI: 10.1021/jm2005089
BindingDB Entry DOI: 10.7270/Q25T3KVT
More data for this
Ligand-Target Pair