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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50142688'   
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 5-lipoxygenase


(Homo sapiens (Human))
BDBM50142688
PNG
(CHEMBL3759494)
Show SMILES CCOC(=O)c1c(CSc2c(C)cc(C)cc2C)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C25H25NO3S/c1-5-29-25(28)22-19-12-21(27)17-8-6-7-9-18(17)23(19)26-20(22)13-30-24-15(3)10-14(2)11-16(24)4/h6-12,26-27H,5,13H2,1-4H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as LTB4 formation preincubated ...


Eur J Med Chem 108: 466-75 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.048
BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50142688
PNG
(CHEMBL3759494)
Show SMILES CCOC(=O)c1c(CSc2c(C)cc(C)cc2C)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C25H25NO3S/c1-5-29-25(28)22-19-12-21(27)17-8-6-7-9-18(17)23(19)26-20(22)13-30-24-15(3)10-14(2)11-16(24)4/h6-12,26-27H,5,13H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 370n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in human intact polymorphonuclear leukocytes preincubated for 15 mins with CaCl2, A23187 measured after 10 mins by HPLC analysis


Eur J Med Chem 108: 466-75 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.048
BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair