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Compile Data Set for Download or QSAR

Found 376 hits with Last Name = 'banoglu' and Initial = 'e'   
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))
BDBM50611748
PNG
(CHEMBL3957641)
PDB
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1.10n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM164972
PNG
(US9067917, 5 | US9682971, 5)
Show SMILES CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(OC(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C30H26F3N3O4/c1-29(2,28(37)38)16-27-35-25-15-22(39-18-21-11-10-20-7-3-4-9-24(20)34-21)12-13-26(25)36(27)17-19-6-5-8-23(14-19)40-30(31,32)33/h3-15H,16-18H2,1-2H3,(H,37,38)
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50611744
PNG
(CHEMBL5283430)
PDB
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n/an/a 0.5n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50611747
PNG
(CHEMBL5274418)
PDB
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n/an/a 0.700n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50611743
PNG
(CHEMBL5269712)
PDB
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n/an/a 0.700n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50611745
PNG
(CHEMBL5278870)
PDB
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50029559
PNG
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)
Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12
Show InChI InChI=1S/C34H35ClN2O3S/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39/h6-18H,19-21H2,1-5H3,(H,38,39)
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n/an/a 2n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50325646
PNG
(1-(4-Methoxyphenyl)-3-trifluoromethyl-5-(3-methyl-...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc2n(C)c(=O)oc2c1)C(F)(F)F
Show InChI InChI=1S/C19H14F3N3O3/c1-24-14-8-3-11(9-16(14)28-18(24)26)15-10-17(19(20,21)22)23-25(15)12-4-6-13(27-2)7-5-12/h3-10H,1-2H3
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n/an/a 4n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of sheep COX1 by enzyme immunoassay


Bioorg Med Chem 18: 6367-76 (2010)


Article DOI: 10.1016/j.bmc.2010.07.009
BindingDB Entry DOI: 10.7270/Q2VH5P15
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50152151
PNG
(CHEMBL3781006)
Show SMILES OC(=O)c1noc(c1-c1ccc(Cl)cc1)-c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C26H17ClN2O4/c27-19-10-5-17(6-11-19)23-24(26(30)31)29-33-25(23)18-8-13-21(14-9-18)32-15-20-12-7-16-3-1-2-4-22(16)28-20/h1-14H,15H2,(H,30,31)
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Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50152151
PNG
(CHEMBL3781006)
Show SMILES OC(=O)c1noc(c1-c1ccc(Cl)cc1)-c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C26H17ClN2O4/c27-19-10-5-17(6-11-19)23-24(26(30)31)29-33-25(23)18-8-13-21(14-9-18)32-15-20-12-7-16-3-1-2-4-22(16)28-20/h1-14H,15H2,(H,30,31)
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Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50325646
PNG
(1-(4-Methoxyphenyl)-3-trifluoromethyl-5-(3-methyl-...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc2n(C)c(=O)oc2c1)C(F)(F)F
Show InChI InChI=1S/C19H14F3N3O3/c1-24-14-8-3-11(9-16(14)28-18(24)26)15-10-17(19(20,21)22)23-25(15)12-4-6-13(27-2)7-5-12/h3-10H,1-2H3
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n/an/a 11n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of sheep COX2 by enzyme immunoassay


Bioorg Med Chem 18: 6367-76 (2010)


Article DOI: 10.1016/j.bmc.2010.07.009
BindingDB Entry DOI: 10.7270/Q2VH5P15
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50325644
PNG
(1-(4-Chlorophenyl)-3-trifluoromethyl-5-(3-methyl-2...)
Show SMILES Cn1c2ccc(cc2oc1=O)-c1cc(nn1-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C18H11ClF3N3O2/c1-24-13-7-2-10(8-15(13)27-17(24)26)14-9-16(18(20,21)22)23-25(14)12-5-3-11(19)4-6-12/h2-9H,1H3
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n/an/a 11n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of sheep COX2 by enzyme immunoassay


Bioorg Med Chem 18: 6367-76 (2010)


Article DOI: 10.1016/j.bmc.2010.07.009
BindingDB Entry DOI: 10.7270/Q2VH5P15
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 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
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50353674
PNG
(CHEMBL1830480)
Show SMILES CC(C)c1ccc(OC(=O)CCc2cc(-c3ccc(C)cc3)n(n2)-c2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C31H29N3O2/c1-21(2)23-12-16-27(17-13-23)36-31(35)19-15-26-20-29(25-10-8-22(3)9-11-25)34(33-26)30-18-14-24-6-4-5-7-28(24)32-30/h4-14,16-18,20-21H,15,19H2,1-3H3
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n/an/a 14n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of COX1-mediated 12-HHT production in human platelet after 5 mins by HPLC analysis


Eur J Med Chem 46: 5021-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.009
BindingDB Entry DOI: 10.7270/Q2445MVS
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)
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50085160
PNG
(CHEMBL32842 | L-674636 | {4-(4-Chloro-phenyl)-1-[4...)
Show SMILES OC(=O)CSC(CCCc1ccc(Cl)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C28H26ClNO3S/c29-23-13-8-20(9-14-23)4-3-7-27(34-19-28(31)32)22-11-16-25(17-12-22)33-18-24-15-10-21-5-1-2-6-26(21)30-24/h1-2,5-6,8-17,27H,3-4,7,18-19H2,(H,31,32)
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Citation and Details
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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Citation and Details
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
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50611748
PNG
(CHEMBL3957641)
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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
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50603600
PNG
(CHEMBL5197602)
Show SMILES S=c1[nH]nc(o1)-c1ccc2[nH]c(nc2c1)-c1ccc(Oc2ccccc2)cc1
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114167
BindingDB Entry DOI: 10.7270/Q2TM7G6D
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50603599
PNG
(CHEMBL5187474)
Show SMILES S=c1[nH]nc(o1)-c1ccc2[nH]c(nc2c1)-c1ccc(OCc2ccccc2)cc1
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114167
BindingDB Entry DOI: 10.7270/Q2TM7G6D
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
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM168655
PNG
(US9079866, 25 | US9079866, 32 | US9745328, Compoun...)
Show SMILES C[C@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1 |r|
Show InChI InChI=1S/C19H19FN4O3S/c1-12(11-25)24-28(26,27)18-5-3-2-4-14(18)13-6-7-15(16(20)8-13)17-9-23-19(21)10-22-17/h2-10,12,24-25H,11H2,1H3,(H2,21,23)/t12-/m1/s1
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Citation and Details
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-Lipoxygenase expressed in Escherichia coli lysate after 10 mins by HPLC analysis


Eur J Med Chem 46: 5021-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.009
BindingDB Entry DOI: 10.7270/Q2445MVS
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50385390
PNG
(CHEMBL2036163)
Show SMILES CC(C)Cc1ccc(cc1)C(C)c1nc2ccccc2n1Cc1ccccc1Cl
Show InChI InChI=1S/C26H27ClN2/c1-18(2)16-20-12-14-21(15-13-20)19(3)26-28-24-10-6-7-11-25(24)29(26)17-22-8-4-5-9-23(22)27/h4-15,18-19H,16-17H2,1-3H3
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Citation and Details
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
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50353666
PNG
(CHEMBL1830471)
Show SMILES Cc1ccc(cc1)-c1cc(CCC(=O)N2CCN(Cc3ccc(cc3)C(C)(C)C)CC2)nn1-c1ccc2ccccc2n1
Show InChI InChI=1S/C37H41N5O/c1-27-9-13-30(14-10-27)34-25-32(39-42(34)35-19-15-29-7-5-6-8-33(29)38-35)18-20-36(43)41-23-21-40(22-24-41)26-28-11-16-31(17-12-28)37(2,3)4/h5-17,19,25H,18,20-24,26H2,1-4H3
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n/an/a 41n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of COX1-mediated 12-HHT production in human platelet after 5 mins by HPLC analysis


Eur J Med Chem 46: 5021-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.009
BindingDB Entry DOI: 10.7270/Q2445MVS
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50611742
PNG
(CHEMBL5275767)
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Citation and Details
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50468648
PNG
(CHEMBL4291851)
Show SMILES CCOC(=O)c1c(Cc2ccc(Cl)c(Cl)c2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H17Cl2NO3/c1-2-28-22(27)20-15-11-19(26)13-5-3-4-6-14(13)21(15)25-18(20)10-12-7-8-16(23)17(24)9-12/h3-9,11,25-26H,2,10H2,1H3
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Universit£ degli Studi della Campania Luigi Vanvitelli

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human peripheral blood neutrophils using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition ...


Eur J Med Chem 155: 946-960 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.041
BindingDB Entry DOI: 10.7270/Q2WM1H3T
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
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50516943
PNG
(CHEMBL332610)
Show SMILES COc1cc(OC)cc(\C=C\c2ccc(O)c(O)c2)c1
Show InChI InChI=1S/C16H16O4/c1-19-13-7-12(8-14(10-13)20-2)4-3-11-5-6-15(17)16(18)9-11/h3-10,17-18H,1-2H3/b4-3+
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University of Campania "L. Vanvitelli"

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in human PMNL cells assessed as A23187-stimulated LTB4 production preincubated for 15 mins followed by A23187 addition and measur...


Eur J Med Chem 180: 637-647 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.033
BindingDB Entry DOI: 10.7270/Q29S1VDF
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))
BDBM50468648
PNG
(CHEMBL4291851)
Show SMILES CCOC(=O)c1c(Cc2ccc(Cl)c(Cl)c2)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H17Cl2NO3/c1-2-28-22(27)20-15-11-19(26)13-5-3-4-6-14(13)21(15)25-18(20)10-12-7-8-16(23)17(24)9-12/h3-9,11,25-26H,2,10H2,1H3
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Universit£ degli Studi della Campania Luigi Vanvitelli

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate preincubated for 15 mins followed by subs...


Eur J Med Chem 155: 946-960 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.041
BindingDB Entry DOI: 10.7270/Q2WM1H3T
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))
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 5-Lipoxygenase in arachidonic acid-stimulated human neutrophils after 15 mins by HPLC analysis in presence of A23187


Eur J Med Chem 46: 5021-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.009
BindingDB Entry DOI: 10.7270/Q2445MVS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50325645
PNG
(3-(4-Methoxyphenyl)-4-(3-methyl-2-oxo-3H-benzoxazo...)
Show SMILES COc1ccc(cc1)C1=C(COC1=O)c1ccc2n(C)c(=O)oc2c1 |t:9|
Show InChI InChI=1S/C19H15NO5/c1-20-15-8-5-12(9-16(15)25-19(20)22)14-10-24-18(21)17(14)11-3-6-13(23-2)7-4-11/h3-9H,10H2,1-2H3
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Gazi University

Curated by ChEMBL


Assay Description
Inhibition of sheep COX1 by enzyme immunoassay


Bioorg Med Chem 18: 6367-76 (2010)


Article DOI: 10.1016/j.bmc.2010.07.009
BindingDB Entry DOI: 10.7270/Q2VH5P15
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM167032
PNG
(US9073876, 118 | US9732093, Compound 118)
Show SMILES Nc1cnc(cn1)-c1ccc(C2CCC2)c(Oc2ncccn2)c1F
Show InChI InChI=1S/C18H16FN5O/c19-16-13(14-9-24-15(20)10-23-14)6-5-12(11-3-1-4-11)17(16)25-18-21-7-2-8-22-18/h2,5-11H,1,3-4H2,(H2,20,24)
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Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 69n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of sheep COX1 by enzyme immunoassay


Bioorg Med Chem 18: 6367-76 (2010)


Article DOI: 10.1016/j.bmc.2010.07.009
BindingDB Entry DOI: 10.7270/Q2VH5P15
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 70n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of COX1-mediated 12-HHT production in human platelet after 5 mins by HPLC analysis


Eur J Med Chem 46: 5021-33 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.009
BindingDB Entry DOI: 10.7270/Q2445MVS
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM31133
PNG
(5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11l)
Show SMILES CCOC(=O)c1c([nH]c2c1cc(O)c1ccccc21)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H16ClNO3/c1-2-26-21(25)18-16-11-17(24)14-5-3-4-6-15(14)20(16)23-19(18)12-7-9-13(22)10-8-12/h3-11,23-24H,2H2,1H3
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Universit£ degli Studi della Campania Luigi Vanvitelli

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate preincubated for 15 mins followed by subs...


Eur J Med Chem 155: 946-960 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.041
BindingDB Entry DOI: 10.7270/Q2WM1H3T
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50611741
PNG
(AZ-12096971 | AZD-4769 | AZD4769 | Azd 4769 | Azd-...)
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Citation and Details
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50516942
PNG
(CHEMBL119576 | NSC-381281)
Show SMILES COc1cc(OC)cc(\C=C\c2ccc(O)c(OC)c2)c1
Show InChI InChI=1S/C17H18O4/c1-19-14-8-13(9-15(11-14)20-2)5-4-12-6-7-16(18)17(10-12)21-3/h4-11,18H,1-3H3/b5-4+
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University of Campania "L. Vanvitelli"

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in human PMNL cells assessed as A23187-stimulated LTB4 production preincubated for 15 mins followed by A23187 addition and measur...


Eur J Med Chem 180: 637-647 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.033
BindingDB Entry DOI: 10.7270/Q29S1VDF
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
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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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))
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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n/an/a 74n/an/an/an/an/an/a



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))
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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n/an/a 90n/an/an/an/an/an/a



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
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50603603
PNG
(CHEMBL5190547)
Show SMILES CC(c1nc2cc(ccc2[nH]1)-c1n[nH]c(=S)o1)c1ccc(Oc2ccccc2)cc1
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114167
BindingDB Entry DOI: 10.7270/Q2TM7G6D
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM130674
PNG
(US8829200, 8)
Show SMILES CNC(=O)c1ccc(cc1-c1nc2cc(ccc2n1C(C)(C)C)-c1cnc(N)nc1)C#N
Show InChI InChI=1S/C24H23N7O/c1-24(2,3)31-20-8-6-15(16-12-28-23(26)29-13-16)10-19(20)30-21(31)18-9-14(11-25)5-7-17(18)22(32)27-4/h5-10,12-13H,1-4H3,(H,27,32)(H2,26,28,29)
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n/an/a 94n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50468659
PNG
(CHEMBL4286295)
Show SMILES CCOC(=O)c1c(Cc2c(F)cccc2F)[nH]c2c1cc(O)c1ccccc21
Show InChI InChI=1S/C22H17F2NO3/c1-2-28-22(27)20-15-11-19(26)12-6-3-4-7-13(12)21(15)25-18(20)10-14-16(23)8-5-9-17(14)24/h3-9,11,25-26H,2,10H2,1H3
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n/an/a 94n/an/an/an/an/an/a



Universit£ degli Studi della Campania Luigi Vanvitelli

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human peripheral blood neutrophils using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition ...


Eur J Med Chem 155: 946-960 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.041
BindingDB Entry DOI: 10.7270/Q2WM1H3T
More data for this
Ligand-Target Pair
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