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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Arachidonate 5-lipoxygenase' and Ligand = 'BDBM50078867'   
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
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50078867
PNG
(CHEMBL3416348)
Show SMILES CCCCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)C1=O |c:13,t:19|
Show InChI InChI=1S/C21H34O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20(23)19(24-2)16-18(22)21(17)25-3/h16H,4-15H2,1-3H3
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 230n/an/an/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in A23187-stimulated human blood PMNL assessed as reduction in lipoxygenase products formation pre-incubated for 15 mins followed...


Eur J Med Chem 94: 132-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.042
BindingDB Entry DOI: 10.7270/Q2T72K5H
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50078867
PNG
(CHEMBL3416348)
Show SMILES CCCCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)C1=O |c:13,t:19|
Show InChI InChI=1S/C21H34O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20(23)19(24-2)16-18(22)21(17)25-3/h16H,4-15H2,1-3H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 260n/an/an/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 incubated for 10 mins in presence of arachidonic acid by RP-HPLC based cell-...


Eur J Med Chem 94: 132-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.042
BindingDB Entry DOI: 10.7270/Q2T72K5H
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50078867
PNG
(CHEMBL3416348)
Show SMILES CCCCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)C1=O |c:13,t:19|
Show InChI InChI=1S/C21H34O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20(23)19(24-2)16-18(22)21(17)25-3/h16H,4-15H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 310n/an/an/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in A23187-stimulated human blood PMNL assessed as reduction in lipoxygenase products formation in presence of arachidonic acid pr...


Eur J Med Chem 94: 132-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.042
BindingDB Entry DOI: 10.7270/Q2T72K5H
More data for this
Ligand-Target Pair