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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Arachidonate 5-lipoxygenase' and Ligand = 'BDBM50078850'   
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))
BDBM50078850
PNG
(CHEBI:4778 | EMBELIN | Embelin)
Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:11,t:16|
Show InChI InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3
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PC cid
PC sid
PDB
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Article
PubMed
n/an/a 60n/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))
BDBM50078850
PNG
(CHEBI:4778 | EMBELIN | Embelin)
Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:11,t:16|
Show InChI InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3
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PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Inhibition of human 5-LOX by cell free assay


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))
BDBM50078850
PNG
(CHEBI:4778 | EMBELIN | Embelin)
Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:11,t:16|
Show InChI InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3
PDB
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PC cid
PC sid
PDB
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Article
PubMed
n/an/a 800n/an/an/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Inhibition of human 5-LOX by intact cell based assay


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))
BDBM50078850
PNG
(CHEBI:4778 | EMBELIN | Embelin)
Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:11,t:16|
Show InChI InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3
PDB
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PC cid
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PubMed
n/an/a 1.70E+3n/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))
BDBM50078850
PNG
(CHEBI:4778 | EMBELIN | Embelin)
Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:11,t:16|
Show InChI InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3
PDB
MMDB

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PC cid
PC sid
PDB
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Article
PubMed
n/an/a 3.50E+3n/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