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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50143435   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50143435
PNG
(7-((2E,6E)-3,7,11-Trimethyl-dodeca-2,6,10-trienylo...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C24H30O3/c1-18(2)7-5-8-19(3)9-6-10-20(4)15-16-26-22-13-11-21-12-14-24(25)27-23(21)17-22/h7,9,11-15,17H,5-6,8,10,16H2,1-4H3/b19-9+,20-15+
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Article
PubMed
n/an/a 1.67E+4n/an/an/an/an/an/a



Mashhad University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 15-lipoxygenase by MBTH-DMAB method


Eur J Med Chem 57: 134-42 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.006
BindingDB Entry DOI: 10.7270/Q20Z74CH
More data for this
Ligand-Target Pair
Squalene--hopene cyclase


(Alicyclobacillus acidocaldarius)
BDBM50143435
PNG
(7-((2E,6E)-3,7,11-Trimethyl-dodeca-2,6,10-trienylo...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C24H30O3/c1-18(2)7-5-8-19(3)9-6-10-20(4)15-16-26-22-13-11-21-12-14-24(25)27-23(21)17-22/h7,9,11-15,17H,5-6,8,10,16H2,1-4H3/b19-9+,20-15+
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Article
PubMed
n/an/a 7.00E+4n/an/an/an/an/an/a



Università di Torino

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against squalene hopene cyclase from Alicyclobacillus acidocaldarius expressed in Escherichia coli


Bioorg Med Chem Lett 14: 1931-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.085
BindingDB Entry DOI: 10.7270/Q2CZ36KX
More data for this
Ligand-Target Pair