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Compile Data Set for Download or QSAR

Found 349 hits with Last Name = 'krauth' and Initial = 'v'   
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))
BDBM50231998
PNG
(CHEMBL4085835)
Show SMILES CCCCCCCCCCCCCc1c(O)c(O)cc(OC)c1OC
PDB
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n/an/a 28n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL




Eur J Med Chem 127: 715-726 (2017)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50078888
PNG
(CHEMBL3416359)
Show SMILES CCCCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:12,18|
Show InChI InChI=1S/C20H32O4/c1-4-5-6-7-8-9-10-11-12-13-14-16-19(22)17(21)15-18(23-2)20(16)24-3/h15H,4-14H2,1-3H3
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n/an/a 29n/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))
BDBM50231991
PNG
(CHEMBL4093584)
Show SMILES CCCCCCCCCCCc1c(O)c(O)cc(OC)c1OC
PDB
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n/an/a 30n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL




Eur J Med Chem 127: 715-726 (2017)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50078890
PNG
(CHEMBL3416357)
Show SMILES CCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:10,16|
Show InChI InChI=1S/C18H28O4/c1-4-5-6-7-8-9-10-11-12-14-17(20)15(19)13-16(21-2)18(14)22-3/h13H,4-12H2,1-3H3
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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))
BDBM50078886
PNG
(CHEMBL3416361)
Show SMILES CCCCCCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:14,20|
Show InChI InChI=1S/C22H36O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)19(23)17-20(25-2)22(18)26-3/h17H,4-16H2,1-3H3
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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))
BDBM50078887
PNG
(CHEMBL3416360)
Show SMILES CCCCCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:13,19|
Show InChI InChI=1S/C21H34O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20(23)18(22)16-19(24-2)21(17)25-3/h16H,4-15H2,1-3H3
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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
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50231998
PNG
(CHEMBL4085835)
Show SMILES CCCCCCCCCCCCCc1c(O)c(O)cc(OC)c1OC
PDB
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n/an/a 60n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL




Eur J Med Chem 127: 715-726 (2017)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50078889
PNG
(CHEMBL3416358)
Show SMILES CCCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:11,17|
Show InChI InChI=1S/C19H30O4/c1-4-5-6-7-8-9-10-11-12-13-15-18(21)16(20)14-17(22-2)19(15)23-3/h14H,4-13H2,1-3H3
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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
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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
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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))
BDBM50078890
PNG
(CHEMBL3416357)
Show SMILES CCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:10,16|
Show InChI InChI=1S/C18H28O4/c1-4-5-6-7-8-9-10-11-12-14-17(20)15(19)13-16(21-2)18(14)22-3/h13H,4-12H2,1-3H3
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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
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50078887
PNG
(CHEMBL3416360)
Show SMILES CCCCCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:13,19|
Show InChI InChI=1S/C21H34O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20(23)18(22)16-19(24-2)21(17)25-3/h16H,4-15H2,1-3H3
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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))
BDBM50078889
PNG
(CHEMBL3416358)
Show SMILES CCCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:11,17|
Show InChI InChI=1S/C19H30O4/c1-4-5-6-7-8-9-10-11-12-13-15-18(21)16(20)14-17(22-2)19(15)23-3/h14H,4-13H2,1-3H3
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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))
BDBM50231999
PNG
(CHEMBL4103758)
Show SMILES CCCCCCCCCCCCc1c(O)c(O)cc(OC)c1OC
PDB
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n/an/a 90n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL




Eur J Med Chem 127: 715-726 (2017)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50078886
PNG
(CHEMBL3416361)
Show SMILES CCCCCCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:14,20|
Show InChI InChI=1S/C22H36O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)19(23)17-20(25-2)22(18)26-3/h17H,4-16H2,1-3H3
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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
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50078883
PNG
(CHEMBL3416365)
Show SMILES [#6]-[#8]-[#6]-1=[#6]-[#6](=O)-[#6](=O)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]-1-[#8]-[#6] |c:23,t:2|
Show InChI InChI=1S/C23H32O4/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-14-19-22(25)20(24)15-21(26-5)23(19)27-6/h9,11,13,15H,7-8,10,12,14H2,1-6H3/b17-11+,18-13+
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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
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50231991
PNG
(CHEMBL4093584)
Show SMILES CCCCCCCCCCCc1c(O)c(O)cc(OC)c1OC
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n/an/a 100n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL




Eur J Med Chem 127: 715-726 (2017)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50078889
PNG
(CHEMBL3416358)
Show SMILES CCCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:11,17|
Show InChI InChI=1S/C19H30O4/c1-4-5-6-7-8-9-10-11-12-13-15-18(21)16(20)14-17(22-2)19(15)23-3/h14H,4-13H2,1-3H3
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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
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50232002
PNG
(CHEMBL4095644)
Show SMILES COC1=CC(=O)C(=O)C(CCCCCCCCCCCO)=C1OC |c:20,t:2|
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n/an/a 120n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL




Eur J Med Chem 127: 715-726 (2017)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50078886
PNG
(CHEMBL3416361)
Show SMILES CCCCCCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:14,20|
Show InChI InChI=1S/C22H36O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)19(23)17-20(25-2)22(18)26-3/h17H,4-16H2,1-3H3
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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))
BDBM50078887
PNG
(CHEMBL3416360)
Show SMILES CCCCCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:13,19|
Show InChI InChI=1S/C21H34O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20(23)18(22)16-19(24-2)21(17)25-3/h16H,4-15H2,1-3H3
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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))
BDBM50078888
PNG
(CHEMBL3416359)
Show SMILES CCCCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:12,18|
Show InChI InChI=1S/C20H32O4/c1-4-5-6-7-8-9-10-11-12-13-14-16-19(22)17(21)15-18(23-2)20(16)24-3/h15H,4-14H2,1-3H3
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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))
BDBM50078890
PNG
(CHEMBL3416357)
Show SMILES CCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:10,16|
Show InChI InChI=1S/C18H28O4/c1-4-5-6-7-8-9-10-11-12-14-17(20)15(19)13-16(21-2)18(14)22-3/h13H,4-12H2,1-3H3
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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))
BDBM50078883
PNG
(CHEMBL3416365)
Show SMILES [#6]-[#8]-[#6]-1=[#6]-[#6](=O)-[#6](=O)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]-1-[#8]-[#6] |c:23,t:2|
Show InChI InChI=1S/C23H32O4/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-14-19-22(25)20(24)15-21(26-5)23(19)27-6/h9,11,13,15H,7-8,10,12,14H2,1-6H3/b17-11+,18-13+
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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))
BDBM50078888
PNG
(CHEMBL3416359)
Show SMILES CCCCCCCCCCCCC1=C(OC)C(OC)=CC(=O)C1=O |c:12,18|
Show InChI InChI=1S/C20H32O4/c1-4-5-6-7-8-9-10-11-12-13-14-16-19(22)17(21)15-18(23-2)20(16)24-3/h15H,4-14H2,1-3H3
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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
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50231996
PNG
(CHEMBL4069339)
Show SMILES COC1=CC(=O)C(=O)C(CCCCCCCCO)=C1OC |c:17,t:2|
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Second University of Naples

Curated by ChEMBL




Eur J Med Chem 127: 715-726 (2017)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50078849
PNG
(CHEMBL3416164)
Show SMILES CCCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:12,t:17|
Show InChI InChI=1S/C18H28O4/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(21)15(19)13-16(20)18(14)22/h13,19,22H,2-12H2,1H3
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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))
BDBM50078847
PNG
(CHEMBL3416165)
Show SMILES CCCCCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:14,t:19|
Show InChI InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(23)17(21)15-18(22)20(16)24/h15,21,24H,2-14H2,1H3
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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))
BDBM50142747
PNG
(CHEMBL3758589)
Show SMILES CCOC(=O)c1c(CSc2c(C)cccc2C)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C24H23NO3S/c1-4-28-24(27)21-18-12-20(26)16-10-5-6-11-17(16)22(18)25-19(21)13-29-23-14(2)8-7-9-15(23)3/h5-12,25-26H,4,13H2,1-3H3
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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)


BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50142706
PNG
(CHEMBL3759622)
Show SMILES CCOC(=O)c1c(CSc2c(Cl)cccc2Cl)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H17Cl2NO3S/c1-2-28-22(27)19-14-10-18(26)12-6-3-4-7-13(12)20(14)25-17(19)11-29-21-15(23)8-5-9-16(21)24/h3-10,25-26H,2,11H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50078851
PNG
(CHEMBL3416163)
Show SMILES CCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:10,t:15|
Show InChI InChI=1S/C16H24O4/c1-2-3-4-5-6-7-8-9-10-12-15(19)13(17)11-14(18)16(12)20/h11,17,20H,2-10H2,1H3
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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))
BDBM50142751
PNG
(CHEMBL3759086)
Show SMILES CCOC(=O)c1c(CSc2ccccc2Cl)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H18ClNO3S/c1-2-27-22(26)20-15-11-18(25)13-7-3-4-8-14(13)21(15)24-17(20)12-28-19-10-6-5-9-16(19)23/h3-11,24-25H,2,12H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50142706
PNG
(CHEMBL3759622)
Show SMILES CCOC(=O)c1c(CSc2c(Cl)cccc2Cl)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H17Cl2NO3S/c1-2-28-22(27)19-14-10-18(26)12-6-3-4-7-13(12)20(14)25-17(19)11-29-21-15(23)8-5-9-16(21)24/h3-10,25-26H,2,11H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50078881
PNG
(CHEMBL3416166)
Show SMILES CCCCCCCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:16,t:21|
Show InChI InChI=1S/C22H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(25)19(23)17-20(24)22(18)26/h17,23,26H,2-16H2,1H3
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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))
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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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)


BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50231993
PNG
(CHEMBL4088278)
Show SMILES COC1=CC(=O)C(OC)=C(CCCCCCCCCCCO)C1=O |t:2,8|
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Second University of Naples

Curated by ChEMBL




Eur J Med Chem 127: 715-726 (2017)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50078865
PNG
(CHEMBL2296071)
Show SMILES CCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)C1=O |c:11,t:17|
Show InChI InChI=1S/C19H30O4/c1-4-5-6-7-8-9-10-11-12-13-15-18(21)17(22-2)14-16(20)19(15)23-3/h14H,4-13H2,1-3H3
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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))
BDBM50078868
PNG
(CHEMBL3416349)
Show SMILES CCCCCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)C1=O |c:14,t:20|
Show InChI InChI=1S/C22H36O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)20(25-2)17-19(23)22(18)26-3/h17H,4-16H2,1-3H3
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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
Macrophage-expressed gene 1 protein


(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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n/an/a 210n/an/an/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1


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
Macrophage-expressed gene 1 protein


(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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University of Naples

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL-1beta stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 synthase activity after 15 mins using ...


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))
BDBM50231996
PNG
(CHEMBL4069339)
Show SMILES COC1=CC(=O)C(=O)C(CCCCCCCCO)=C1OC |c:17,t:2|
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Second University of Naples

Curated by ChEMBL




Eur J Med Chem 127: 715-726 (2017)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM22334
PNG
(BW A4C | BW4C | BWA4C | BWA4C, 10 | CHEMBL314360 |...)
Show SMILES CC(=O)N(O)C\C=C\c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C17H17NO3/c1-14(19)18(20)12-6-8-15-7-5-11-17(13-15)21-16-9-3-2-4-10-16/h2-11,13,20H,12H2,1H3/b8-6+
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n/an/a 220n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of 5-LO (unknown origin)


Eur J Med Chem 67: 269-79 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.039
BindingDB Entry DOI: 10.7270/Q2XW4M9Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50142689
PNG
(CHEMBL3759314)
Show SMILES CCOC(=O)c1c(CSc2cc(Cl)cc(Cl)c2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H17Cl2NO3S/c1-2-28-22(27)20-17-10-19(26)15-5-3-4-6-16(15)21(17)25-18(20)11-29-14-8-12(23)7-13(24)9-14/h3-10,25-26H,2,11H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50078848
PNG
(CHEBI:8779 | Rapanone)
Show SMILES CCCCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:13,t:18|
Show InChI InChI=1S/C19H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(22)16(20)14-17(21)19(15)23/h14,20,23H,2-13H2,1H3
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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))
BDBM50078882
PNG
(CHEMBL462998)
Show SMILES CCCCCCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:15,t:20|
Show InChI InChI=1S/C21H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20(24)18(22)16-19(23)21(17)25/h16,22,25H,2-15H2,1H3
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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
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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))
BDBM50016516
PNG
(CHEMBL3260691)
Show SMILES CCOC(=O)c1c(CSc2c(C)cc(C)cc2C)n(C)c2ccc(O)cc12
Show InChI InChI=1S/C22H25NO3S/c1-6-26-22(25)20-17-11-16(24)7-8-18(17)23(5)19(20)12-27-21-14(3)9-13(2)10-15(21)4/h7-11,24H,6,12H2,1-5H3
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n/an/a 230n/an/an/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human polymorphonuclear leukocytes assessed as inhibition of LTB4 production from arachidonic acid preincubated for 15 mins by ...


Eur J Med Chem 81: 492-8 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.033
BindingDB Entry DOI: 10.7270/Q2TX3GXD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50142748
PNG
(CHEMBL3758897)
Show SMILES CCOC(=O)c1c(CSc2ccc(Cl)c(Cl)c2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H17Cl2NO3S/c1-2-28-22(27)20-15-10-19(26)13-5-3-4-6-14(13)21(15)25-18(20)11-29-12-7-8-16(23)17(24)9-12/h3-10,25-26H,2,11H2,1H3
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n/an/a 237n/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)


BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50142689
PNG
(CHEMBL3759314)
Show SMILES CCOC(=O)c1c(CSc2cc(Cl)cc(Cl)c2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H17Cl2NO3S/c1-2-28-22(27)20-17-10-19(26)15-5-3-4-6-16(15)21(17)25-18(20)11-29-14-8-12(23)7-13(24)9-14/h3-10,25-26H,2,11H2,1H3
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n/an/a 240n/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)


BindingDB Entry DOI: 10.7270/Q2BR8V14
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50231999
PNG
(CHEMBL4103758)
Show SMILES CCCCCCCCCCCCc1c(O)c(O)cc(OC)c1OC
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n/an/a 240n/an/an/an/an/an/a



Second University of Naples

Curated by ChEMBL




Eur J Med Chem 127: 715-726 (2017)

More data for this
Ligand-Target Pair
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