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Compile Data Set for Download or QSAR

Found 323 hits with Last Name = 'gerstmeier' and Initial = 'j'   
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-activating protein


(Homo sapiens (Human))
BDBM50202473
PNG
(CHEMBL3954390)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2cc(ccc2n1Cc1ccccc1Cl)C#N
Show InChI InChI=1S/C27H26ClN3/c1-18(2)14-20-8-11-22(12-9-20)19(3)27-30-25-15-21(16-29)10-13-26(25)31(27)17-23-6-4-5-7-24(23)28/h4-13,15,18-19H,14,17H2,1-3H3
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n/an/a 12n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human monocytes assessed as suppression of fMLP/LPS-stimulated cys-LT formation preincubated for 15 mins measured after 10 mins...


Eur J Med Chem 122: 510-519 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.004
BindingDB Entry DOI: 10.7270/Q2H41TCW
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50006805
PNG
(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)
Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1
Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)
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n/an/a 17n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in A23187-stimulated human neutrophils assessed as 5-LO product formation preincubated for 15 mins measured after 10 mins


Bioorg Med Chem 20: 3728-41 (2012)


Article DOI: 10.1016/j.bmc.2012.04.048
BindingDB Entry DOI: 10.7270/Q26H4JFM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50202473
PNG
(CHEMBL3954390)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2cc(ccc2n1Cc1ccccc1Cl)C#N
Show InChI InChI=1S/C27H26ClN3/c1-18(2)14-20-8-11-22(12-9-20)19(3)27-30-25-15-21(16-29)10-13-26(25)31(27)17-23-6-4-5-7-24(23)28/h4-13,15,18-19H,14,17H2,1-3H3
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n/an/a 26n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human monocytes assessed as suppression of A23187-stimulated 5-LO product formation preincubated for 15 mins followed by A23187...


Eur J Med Chem 122: 510-519 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.004
BindingDB Entry DOI: 10.7270/Q2H41TCW
More data for this
Ligand-Target Pair
Leukotriene C4 synthase


(Homo sapiens (Human))
BDBM50462326
PNG
(CHEMBL4251024)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2cc(CCC(O)=O)ccc2n1Cc1ccccc1Cl
Show InChI InChI=1S/C29H31ClN2O2/c1-19(2)16-21-8-12-23(13-9-21)20(3)29-31-26-17-22(11-15-28(33)34)10-14-27(26)32(29)18-24-6-4-5-7-25(24)30/h4-10,12-14,17,19-20H,11,15-16,18H2,1-3H3,(H,33,34)
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n/an/a 30n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of LTC4 synthase in LPS/fMLP-stimulated human monocytes assessed as decrease in cys-LT formation pre-incubated with LPS for 30 mins and la...


Eur J Med Chem 150: 876-899 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.045
BindingDB Entry DOI: 10.7270/Q25D8VHD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50202473
PNG
(CHEMBL3954390)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2cc(ccc2n1Cc1ccccc1Cl)C#N
Show InChI InChI=1S/C27H26ClN3/c1-18(2)14-20-8-11-22(12-9-20)19(3)27-30-25-15-21(16-29)10-13-26(25)31(27)17-23-6-4-5-7-24(23)28/h4-13,15,18-19H,14,17H2,1-3H3
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n/an/a 35n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human monocytes assessed as suppression of A23187-stimulated 5-LO product formation using 10 uM arachidonic acid as substrate p...


Eur J Med Chem 122: 510-519 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.004
BindingDB Entry DOI: 10.7270/Q2H41TCW
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576500
PNG
(CHEMBL4847874)
Show SMILES [#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2c(-[#6])c(-[#8])c(-[#6])c(-[#6])c2-[#8]1 |r|
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TBA

Assay Description
Inhibition of 5-LOX in human PMNL assessed as reduction in 5-LOX product formation preincubated for 10 mins before addition of AA and A23187 and meas...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50462327
PNG
(CHEMBL4246749)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2cc(ccc2n1Cc1ccccc1Cl)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C33H31ClN2O2/c1-21(2)18-23-8-10-24(11-9-23)22(3)32-35-30-19-27(25-12-14-26(15-13-25)33(37)38)16-17-31(30)36(32)20-28-6-4-5-7-29(28)34/h4-17,19,21-22H,18,20H2,1-3H3,(H,37,38)
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Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in A23187-stimulated human neutrophils assessed as reduction in 5-LO product formation preincubated for 15 mins followed by A23187...


Eur J Med Chem 150: 876-899 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.045
BindingDB Entry DOI: 10.7270/Q25D8VHD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50462326
PNG
(CHEMBL4251024)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2cc(CCC(O)=O)ccc2n1Cc1ccccc1Cl
Show InChI InChI=1S/C29H31ClN2O2/c1-19(2)16-21-8-12-23(13-9-21)20(3)29-31-26-17-22(11-15-28(33)34)10-14-27(26)32(29)18-24-6-4-5-7-25(24)30/h4-10,12-14,17,19-20H,11,15-16,18H2,1-3H3,(H,33,34)
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Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in A23187-stimulated human neutrophils assessed as reduction in 5-LO product formation preincubated for 15 mins followed by A23187...


Eur J Med Chem 150: 876-899 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.045
BindingDB Entry DOI: 10.7270/Q25D8VHD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50462328
PNG
(CHEMBL4251469)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2cc(ccc2n1Cc1ccccc1Cl)-c1n[nH]c(=S)o1
Show InChI InChI=1S/C28H27ClN4OS/c1-17(2)14-19-8-10-20(11-9-19)18(3)26-30-24-15-21(27-31-32-28(35)34-27)12-13-25(24)33(26)16-22-6-4-5-7-23(22)29/h4-13,15,17-18H,14,16H2,1-3H3,(H,32,35)
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Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in A23187-stimulated human neutrophils assessed as reduction in 5-LO product formation preincubated for 15 mins followed by A23187...


Eur J Med Chem 150: 876-899 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.045
BindingDB Entry DOI: 10.7270/Q25D8VHD
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576500
PNG
(CHEMBL4847874)
Show SMILES [#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2c(-[#6])c(-[#8])c(-[#6])c(-[#6])c2-[#8]1 |r|
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TBA

Assay Description
Inhibition of 5-LOX in human PMNL assessed as reduction in 5-LOX product formation preincubated for 10 mins before addition of A23187 and measured af...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576502
PNG
(CHEMBL3092679)
Show SMILES [#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2cc(-[#8])c(-[#6])c(-[#6])c2-[#8]1 |r|
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TBA

Assay Description
Inhibition of 5-LOX in human PMNL assessed as reduction in 5-LOX product formation preincubated for 10 mins before addition of AA and A23187 and meas...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50462326
PNG
(CHEMBL4251024)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2cc(CCC(O)=O)ccc2n1Cc1ccccc1Cl
Show InChI InChI=1S/C29H31ClN2O2/c1-19(2)16-21-8-12-23(13-9-21)20(3)29-31-26-17-22(11-15-28(33)34)10-14-27(26)32(29)18-24-6-4-5-7-25(24)30/h4-10,12-14,17,19-20H,11,15-16,18H2,1-3H3,(H,33,34)
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Gazi University

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in A23187-stimulated human neutrophils assessed as reduction in 5-LO product formation preincubated for 15 mins followed by A23187...


Eur J Med Chem 150: 876-899 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.045
BindingDB Entry DOI: 10.7270/Q25D8VHD
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50527521
PNG
(CHEMBL4463788)
Show SMILES C\C(CC\C=C(/C)C(O)=O)=C/CC\C(C)=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1 |r|
Show InChI InChI=1S/C27H38O4/c1-19(11-7-13-21(3)26(29)30)9-6-10-20(2)12-8-15-27(5)16-14-23-18-24(28)17-22(4)25(23)31-27/h9,12-13,17-18,28H,6-8,10-11,14-16H2,1-5H3,(H,29,30)/b19-9+,20-12+,21-13+/t27-/m1/s1
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TBA

Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50202473
PNG
(CHEMBL3954390)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2cc(ccc2n1Cc1ccccc1Cl)C#N
Show InChI InChI=1S/C27H26ClN3/c1-18(2)14-20-8-11-22(12-9-20)19(3)27-30-25-15-21(16-29)10-13-26(25)31(27)17-23-6-4-5-7-24(23)28/h4-13,15,18-19H,14,17H2,1-3H3
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n/an/a 70n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human neutrophils assessed as suppression of A23187-stimulated 5-LO product formation using arachidonic acid as substrate prein...


Eur J Med Chem 122: 510-519 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.004
BindingDB Entry DOI: 10.7270/Q2H41TCW
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50462326
PNG
(CHEMBL4251024)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2cc(CCC(O)=O)ccc2n1Cc1ccccc1Cl
Show InChI InChI=1S/C29H31ClN2O2/c1-19(2)16-21-8-12-23(13-9-21)20(3)29-31-26-17-22(11-15-28(33)34)10-14-27(26)32(29)18-24-6-4-5-7-25(24)30/h4-10,12-14,17,19-20H,11,15-16,18H2,1-3H3,(H,33,34)
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Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in A23187-stimulated human monocytes assessed as reduction in 5-LO product formation preincubated for 15 mins followed by A23187 a...


Eur J Med Chem 150: 876-899 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.045
BindingDB Entry DOI: 10.7270/Q25D8VHD
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576496
PNG
(CHEMBL4876438)
Show SMILES CN(C)Cc1c(O)cc(C)c2O[C@](C)(CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C(O)=O)CCc12 |r|
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TBA

Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50462356
PNG
(CHEMBL4250561)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2cc(ccc2n1Cc1ccccc1Cl)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C33H31ClN2O2/c1-21(2)17-23-11-13-24(14-12-23)22(3)32-35-30-19-26(25-8-6-9-27(18-25)33(37)38)15-16-31(30)36(32)20-28-7-4-5-10-29(28)34/h4-16,18-19,21-22H,17,20H2,1-3H3,(H,37,38)
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Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in A23187-stimulated human neutrophils assessed as reduction in 5-LO product formation preincubated for 15 mins followed by A23187...


Eur J Med Chem 150: 876-899 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.045
BindingDB Entry DOI: 10.7270/Q25D8VHD
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576481
PNG
(CHEMBL2151600)
Show SMILES CC(CCCC(C)CCC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1)CCCC(C)C(O)=O |r|
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TBA

Assay Description
Inhibition of 5-LOX in human PMNL assessed as reduction in 5-LOX product formation preincubated for 10 mins before addition of AA and A23187 and meas...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50462340
PNG
(CHEMBL4247640)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2cc(ccc2n1Cc1ccccc1Cl)-c1nnco1
Show InChI InChI=1S/C28H27ClN4O/c1-18(2)14-20-8-10-21(11-9-20)19(3)27-31-25-15-22(28-32-30-17-34-28)12-13-26(25)33(27)16-23-6-4-5-7-24(23)29/h4-13,15,17-19H,14,16H2,1-3H3
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Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in A23187-stimulated human neutrophils assessed as reduction in 5-LO product formation preincubated for 15 mins followed by A23187...


Eur J Med Chem 150: 876-899 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.045
BindingDB Entry DOI: 10.7270/Q25D8VHD
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576507
PNG
(CHEMBL4856987)
Show SMILES [#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2cc(-[#8]-[#6](=O)-[#6]-[#6]-[#6](-[#8])=O)cc(-[#6])c2-[#8]1 |r|
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TBA

Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576501
PNG
(CHEMBL4865488)
Show SMILES [#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2c(-[#6])c(-[#8])cc(-[#6])c2-[#8]1 |r|
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TBA

Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576522
PNG
(CHEMBL4849927)
Show SMILES COc1ccc(cc1OC)C1OCC(CO1)=CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2c(C)c(O)c(CO)c(C)c2O1 |r|
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TBA

Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50511334
PNG
(CHEMBL4557553)
Show SMILES COC(=O)c1ccc(CNC(=O)Cc2ccc(Oc3nc4ccccc4s3)cc2F)cc1
Show InChI InChI=1S/C24H19FN2O4S/c1-30-23(29)16-8-6-15(7-9-16)14-26-22(28)12-17-10-11-18(13-19(17)25)31-24-27-20-4-2-3-5-21(20)32-24/h2-11,13H,12,14H2,1H3,(H,26,28)
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Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of full length human soluble epoxide hydrolase (1 to 555 residues) expressed in Escherichia coli BL21(DE3) using non-fluorescent PHOME as ...


ACS Med Chem Lett 11: 298-302 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00330
BindingDB Entry DOI: 10.7270/Q2M3303Q
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576501
PNG
(CHEMBL4865488)
Show SMILES [#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2c(-[#6])c(-[#8])cc(-[#6])c2-[#8]1 |r|
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TBA

Assay Description
Inhibition of 5-LOX in human PMNL assessed as reduction in 5-LOX product formation preincubated for 10 mins before addition of AA and A23187 and meas...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50462330
PNG
(CHEMBL4247178)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2cc(ccc2n1Cc1ccccc1Cl)-c1n[nH]c(=O)o1
Show InChI InChI=1S/C28H27ClN4O2/c1-17(2)14-19-8-10-20(11-9-19)18(3)26-30-24-15-21(27-31-32-28(34)35-27)12-13-25(24)33(26)16-22-6-4-5-7-23(22)29/h4-13,15,17-18H,14,16H2,1-3H3,(H,32,34)
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Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in A23187-stimulated human neutrophils assessed as reduction in 5-LO product formation preincubated for 15 mins followed by A23187...


Eur J Med Chem 150: 876-899 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.045
BindingDB Entry DOI: 10.7270/Q25D8VHD
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 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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Gazi University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 incubated for 15 mins prior to prewarming for 30 secs followed by CaCl2+ and ...


Eur J Med Chem 150: 876-899 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.045
BindingDB Entry DOI: 10.7270/Q25D8VHD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(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 110n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in A23187-stimulated human neutrophils assessed as 5-LO product formation preincubated for 15 mins measured after 10 mins


Bioorg Med Chem 20: 3728-41 (2012)


Article DOI: 10.1016/j.bmc.2012.04.048
BindingDB Entry DOI: 10.7270/Q26H4JFM
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576502
PNG
(CHEMBL3092679)
Show SMILES [#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2cc(-[#8])c(-[#6])c(-[#6])c2-[#8]1 |r|
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TBA

Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576500
PNG
(CHEMBL4847874)
Show SMILES [#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2c(-[#6])c(-[#8])c(-[#6])c(-[#6])c2-[#8]1 |r|
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TBA

Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576514
PNG
(CHEMBL4868153)
Show SMILES [#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2c(-[#6]-[#7]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)c(-[#8])cc(-[#6])c2-[#8]1 |r|
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TBA

Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576512
PNG
(CHEMBL4872620)
Show SMILES [#6]-[#7](-[#6])-[#6]-c1c(-[#8])cc(-[#6])c2-[#8][C@]([#6])([#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])[#6]-[#6]-c12 |r|
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TBA

Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50385376
PNG
(CHEMBL2036377)
Show SMILES COc1ccc2n(Cc3ccccc3Cl)c(nc2c1)C(C)c1ccc(CC(C)C)cc1
Show InChI InChI=1S/C27H29ClN2O/c1-18(2)15-20-9-11-21(12-10-20)19(3)27-29-25-16-23(31-4)13-14-26(25)30(27)17-22-7-5-6-8-24(22)28/h5-14,16,18-19H,15,17H2,1-4H3
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Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in A23187-stimulated human neutrophils assessed as 5-LO product formation preincubated for 15 mins measured after 10 mins


Bioorg Med Chem 20: 3728-41 (2012)


Article DOI: 10.1016/j.bmc.2012.04.048
BindingDB Entry DOI: 10.7270/Q26H4JFM
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50202475
PNG
(CHEMBL3983042)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2cc(OCc3ccccc3C#N)ccc2n1Cc1ccccc1Cl
Show InChI InChI=1S/C34H32ClN3O/c1-23(2)18-25-12-14-26(15-13-25)24(3)34-37-32-19-30(39-22-29-10-5-4-8-27(29)20-36)16-17-33(32)38(34)21-28-9-6-7-11-31(28)35/h4-17,19,23-24H,18,21-22H2,1-3H3
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Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human neutrophils assessed as suppression of A23187-stimulated 5-LO product formation using arachidonic acid as substrate prein...


Eur J Med Chem 122: 510-519 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.004
BindingDB Entry DOI: 10.7270/Q2H41TCW
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576513
PNG
(CHEMBL4869687)
Show SMILES [#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2c(-[#6]-[#7]-3-[#6]-[#6]-[#8]-[#6]-[#6]-3)c(-[#8])cc(-[#6])c2-[#8]1 |r|
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TBA

Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50511340
PNG
(CHEMBL4471473)
Show SMILES Fc1ccc(CCNC(=O)Cc2ccc(Oc3nc4ccccc4s3)cc2)cc1
Show InChI InChI=1S/C23H19FN2O2S/c24-18-9-5-16(6-10-18)13-14-25-22(27)15-17-7-11-19(12-8-17)28-23-26-20-3-1-2-4-21(20)29-23/h1-12H,13-15H2,(H,25,27)
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n/an/a 130n/an/an/an/an/an/a



Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of full length human soluble epoxide hydrolase (1 to 555 residues) expressed in Escherichia coli BL21(DE3) using non-fluorescent PHOME as ...


ACS Med Chem Lett 11: 298-302 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00330
BindingDB Entry DOI: 10.7270/Q2M3303Q
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50462351
PNG
(CHEMBL4241055)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2cc(ccc2n1Cc1ccccc1Cl)C(N)=O
Show InChI InChI=1S/C27H28ClN3O/c1-17(2)14-19-8-10-20(11-9-19)18(3)27-30-24-15-21(26(29)32)12-13-25(24)31(27)16-22-6-4-5-7-23(22)28/h4-13,15,17-18H,14,16H2,1-3H3,(H2,29,32)
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Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in A23187-stimulated human neutrophils assessed as reduction in 5-LO product formation preincubated for 15 mins followed by A23187...


Eur J Med Chem 150: 876-899 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.045
BindingDB Entry DOI: 10.7270/Q25D8VHD
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50555730
PNG
(CHEMBL4747347)
Show SMILES C\C(CC\C=C(/C)C(O)=O)=C/CC\C(C)=C\CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1 |r|
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TBA

Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50202474
PNG
(CHEMBL3897558)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2cc(OCc3ccccn3)ccc2n1Cc1ccccc1C(F)(F)F
Show InChI InChI=1S/C33H32F3N3O/c1-22(2)18-24-11-13-25(14-12-24)23(3)32-38-30-19-28(40-21-27-9-6-7-17-37-27)15-16-31(30)39(32)20-26-8-4-5-10-29(26)33(34,35)36/h4-17,19,22-23H,18,20-21H2,1-3H3
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Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human neutrophils assessed as suppression of A23187-stimulated 5-LO product formation using arachidonic acid as substrate prein...


Eur J Med Chem 122: 510-519 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.004
BindingDB Entry DOI: 10.7270/Q2H41TCW
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50462350
PNG
(CHEMBL4251226)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2cc(ccc2n1Cc1ccccc1Cl)-c1nc(cs1)C(O)=O
Show InChI InChI=1S/C30H28ClN3O2S/c1-18(2)14-20-8-10-21(11-9-20)19(3)28-32-25-15-22(29-33-26(17-37-29)30(35)36)12-13-27(25)34(28)16-23-6-4-5-7-24(23)31/h4-13,15,17-19H,14,16H2,1-3H3,(H,35,36)
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Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in A23187-stimulated human neutrophils assessed as reduction in 5-LO product formation preincubated for 15 mins followed by A23187...


Eur J Med Chem 150: 876-899 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.045
BindingDB Entry DOI: 10.7270/Q25D8VHD
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576503
PNG
(CHEMBL3092680)
Show SMILES [#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2cc(-[#8])cc(-[#6])c2-[#8]1 |r|
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TBA

Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50385380
PNG
(CHEMBL2036382)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2cc(Cl)ccc2n1Cc1ccccc1Cl
Show InChI InChI=1S/C26H26Cl2N2/c1-17(2)14-19-8-10-20(11-9-19)18(3)26-29-24-15-22(27)12-13-25(24)30(26)16-21-6-4-5-7-23(21)28/h4-13,15,17-18H,14,16H2,1-3H3
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Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in A23187-stimulated human neutrophils assessed as 5-LO product formation preincubated for 15 mins measured after 10 mins


Bioorg Med Chem 20: 3728-41 (2012)


Article DOI: 10.1016/j.bmc.2012.04.048
BindingDB Entry DOI: 10.7270/Q26H4JFM
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50462358
PNG
(CHEMBL4245924)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2cc(ccc2n1Cc1ccccc1Cl)C(N)=S
Show InChI InChI=1S/C27H28ClN3S/c1-17(2)14-19-8-10-20(11-9-19)18(3)27-30-24-15-21(26(29)32)12-13-25(24)31(27)16-22-6-4-5-7-23(22)28/h4-13,15,17-18H,14,16H2,1-3H3,(H2,29,32)
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Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in A23187-stimulated human neutrophils assessed as reduction in 5-LO product formation preincubated for 15 mins followed by A23187...


Eur J Med Chem 150: 876-899 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.045
BindingDB Entry DOI: 10.7270/Q25D8VHD
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576492
PNG
(CHEMBL4853392)
Show SMILES CC(CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1)C(O)=O |r|
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Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576494
PNG
(CHEMBL4866333)
Show SMILES COC(=O)C(C)CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1 |r|
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TBA

Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576511
PNG
(CHEMBL4852521)
Show SMILES [#6]\[#6](-[#6]-[#6]\[#6]=[#6](/[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2c(-[#6]-[#7]-3-[#6]-[#6]-[#6]-[#6]-3)c(-[#8])cc(-[#6])c2-[#8]1 |r|
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TBA

Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576504
PNG
(CHEMBL4860001)
Show SMILES [#6]\[#6](-[#6]-[#6]\[#6]=[#6](/[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6][C@]1([#6])[#6]-[#6]-c2cc(-[#8])cc(-[#6])c2-[#8]1 |r|
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TBA

Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576509
PNG
(CHEMBL4863843)
Show SMILES [#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2c(-[#6])c(-[#8])c(-[#6]=O)c(-[#6])c2-[#8]1 |r|
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TBA

Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576510
PNG
(CHEMBL4856621)
Show SMILES [#6]\[#6](-[#6]-[#6]\[#6]=[#6](\[#6]-[#8])-[#6]-[#8])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2c(-[#8]1)c(-[#6])cc(-[#8])c2-[#6]=O |r|
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Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50202472
PNG
(CHEMBL3927809)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2cc(OCC=C)ccc2n1Cc1ccccc1C(F)(F)F
Show InChI InChI=1S/C30H31F3N2O/c1-5-16-36-25-14-15-28-27(18-25)34-29(21(4)23-12-10-22(11-13-23)17-20(2)3)35(28)19-24-8-6-7-9-26(24)30(31,32)33/h5-15,18,20-21H,1,16-17,19H2,2-4H3
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n/an/a 170n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of FLAP in human neutrophils assessed as suppression of A23187-stimulated 5-LO product formation using arachidonic acid as substrate prein...


Eur J Med Chem 122: 510-519 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.004
BindingDB Entry DOI: 10.7270/Q2H41TCW
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50576484
PNG
(CHEMBL4858254)
Show SMILES C\C(CC\C=C(\C)C(O)=O)=C/CC\C(C)=C\CC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1 |r|
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TBA

Assay Description
Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00806
BindingDB Entry DOI: 10.7270/Q2CZ3C0C
More data for this
Ligand-Target Pair
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