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PubMed code 26123643

Compile data set for download or QSAR
Found 90 hits of Enzyme Inhibition Constant Data   
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
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50114564
PNG
(CHEMBL3608378)
Show SMILES CCCCCC(=O)c1c(O)c(C(C(C)C)C2=C(O)c3ccccc3C2=O)c(O)c(C(C(C)C)C2=C(O)c3ccccc3C2=O)c1O |c:15,35|
Show InChI InChI=1S/C38H40O8/c1-6-7-8-17-24(39)27-36(44)30(25(18(2)3)28-32(40)20-13-9-10-14-21(20)33(28)41)38(46)31(37(27)45)26(19(4)5)29-34(42)22-15-11-12-16-23(22)35(29)43/h9-16,18-19,25-26,40,42,44-46H,6-8,17H2,1-5H3
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n/an/a 80n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in microsomal membranes isolated from interleukin-1beta-stimulated human A549 cells using PGH2 as substrate assessed as PGE2 fo...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50114565
PNG
(CHEMBL3608855)
Show SMILES CC(C)CC(=O)c1c(O)c(C(C(C)C)C2=C(O)c3ccccc3C2=O)c(O)c(C(C(C)C)C2=C(O)c3ccccc3C2=O)c1O |c:14,34|
Show InChI InChI=1S/C37H38O8/c1-16(2)15-23(38)26-35(43)29(24(17(3)4)27-31(39)19-11-7-8-12-20(19)32(27)40)37(45)30(36(26)44)25(18(5)6)28-33(41)21-13-9-10-14-22(21)34(28)42/h7-14,16-18,24-25,39,41,43-45H,15H2,1-6H3
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n/an/a 180n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in microsomal membranes isolated from interleukin-1beta-stimulated human A549 cells using PGH2 as substrate assessed as PGE2 fo...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50114427
PNG
(CHEMBL3608361)
Show SMILES CC(C)CC(C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)c(C(CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c(C(=O)CC(C)C)c1O |c:5,28|
Show InChI InChI=1S/C41H58O10/c1-18(2)15-21(26-32(46)38(7,8)36(50)39(9,10)33(26)47)24-29(43)25(31(45)28(30(24)44)23(42)17-20(5)6)22(16-19(3)4)27-34(48)40(11,12)37(51)41(13,14)35(27)49/h18-22,43-46,48H,15-17H2,1-14H3
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n/an/a 220n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in microsomal membranes isolated from interleukin-1beta-stimulated human A549 cells using PGH2 as substrate assessed as PGE2 fo...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50114425
PNG
(CHEMBL3608359)
Show SMILES CCCCCC(=O)c1c(O)c(C(CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c(C(CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c1O |c:16,38|
Show InChI InChI=1S/C42H60O10/c1-14-15-16-17-24(43)29-31(45)25(22(18-20(2)3)27-33(47)39(6,7)37(51)40(8,9)34(27)48)30(44)26(32(29)46)23(19-21(4)5)28-35(49)41(10,11)38(52)42(12,13)36(28)50/h20-23,44-47,49H,14-19H2,1-13H3
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n/an/a 240n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in microsomal membranes isolated from interleukin-1beta-stimulated human A549 cells using PGH2 as substrate assessed as PGE2 fo...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50114426
PNG
(CHEMBL3608360)
Show SMILES CC(C)CC(C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)c(C(CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c(C(=O)C(C)C)c1O |c:5,28|
Show InChI InChI=1S/C40H56O10/c1-17(2)15-20(24-31(45)37(7,8)35(49)38(9,10)32(24)46)22-28(42)23(30(44)26(29(22)43)27(41)19(5)6)21(16-18(3)4)25-33(47)39(11,12)36(50)40(13,14)34(25)48/h17-21,42-45,47H,15-16H2,1-14H3
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n/an/a 290n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in microsomal membranes isolated from interleukin-1beta-stimulated human A549 cells using PGH2 as substrate assessed as PGE2 fo...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50114563
PNG
(CHEMBL3608377)
Show SMILES CC(C)C(C1=C(O)c2ccccc2C1=O)c1c(O)c(C(C(C)C)C2=C(O)c3ccccc3C2=O)c(O)c(C(=O)C(C)C)c1O |c:4,25|
Show InChI InChI=1S/C36H36O8/c1-15(2)22(24-30(38)18-11-7-8-12-19(18)31(24)39)26-34(42)27(36(44)28(35(26)43)29(37)17(5)6)23(16(3)4)25-32(40)20-13-9-10-14-21(20)33(25)41/h7-17,22-23,38,40,42-44H,1-6H3
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n/an/a 300n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in microsomal membranes isolated from interleukin-1beta-stimulated human A549 cells using PGH2 as substrate assessed as PGE2 fo...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50114428
PNG
(Myrtucommulone H)
Show SMILES CCCCCC(=O)c1c(O)c([C@@H](CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c([C@@H](C(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c1O |r,c:16,37|
Show InChI InChI=1S/C41H58O10/c1-14-15-16-17-22(42)26-29(43)24(21(18-19(2)3)25-32(46)38(6,7)36(50)39(8,9)33(25)47)30(44)27(31(26)45)23(20(4)5)28-34(48)40(10,11)37(51)41(12,13)35(28)49/h19-21,23,43-46,48H,14-18H2,1-13H3/t21-,23-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in microsomal membranes isolated from interleukin-1beta-stimulated human A549 cells using PGH2 as substrate assessed as PGE2 fo...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50114430
PNG
(CHEMBL3608363)
Show SMILES CCCCCC(=O)c1c(O)cc(O)c(C(C(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c1O |c:18|
Show InChI InChI=1S/C26H36O7/c1-8-9-10-11-14(27)18-15(28)12-16(29)19(21(18)30)17(13(2)3)20-22(31)25(4,5)24(33)26(6,7)23(20)32/h12-13,17,28-31H,8-11H2,1-7H3
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n/an/a 390n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in microsomal membranes isolated from interleukin-1beta-stimulated human A549 cells using PGH2 as substrate assessed as PGE2 fo...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50114420
PNG
(CHEMBL3608858)
Show SMILES CCCCCC(=O)c1c(O)c(C(C2=C(O)c3ccccc3C2=O)c2ccccc2)c(O)c(C(C2=C(O)c3ccccc3C2=O)c2ccccc2)c1O |c:12,36|
Show InChI InChI=1S/C44H36O8/c1-2-3-6-23-30(45)33-42(50)36(31(24-15-7-4-8-16-24)34-38(46)26-19-11-12-20-27(26)39(34)47)44(52)37(43(33)51)32(25-17-9-5-10-18-25)35-40(48)28-21-13-14-22-29(28)41(35)49/h4-5,7-22,31-32,46,48,50-52H,2-3,6,23H2,1H3
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n/an/a 430n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in microsomal membranes isolated from interleukin-1beta-stimulated human A549 cells using PGH2 as substrate assessed as PGE2 fo...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114420
PNG
(CHEMBL3608858)
Show SMILES CCCCCC(=O)c1c(O)c(C(C2=C(O)c3ccccc3C2=O)c2ccccc2)c(O)c(C(C2=C(O)c3ccccc3C2=O)c2ccccc2)c1O |c:12,36|
Show InChI InChI=1S/C44H36O8/c1-2-3-6-23-30(45)33-42(50)36(31(24-15-7-4-8-16-24)34-38(46)26-19-11-12-20-27(26)39(34)47)44(52)37(43(33)51)32(25-17-9-5-10-18-25)35-40(48)28-21-13-14-22-29(28)41(35)49/h4-5,7-22,31-32,46,48,50-52H,2-3,6,23H2,1H3
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n/an/a 460n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as formation of all-trans isomer...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114425
PNG
(CHEMBL3608359)
Show SMILES CCCCCC(=O)c1c(O)c(C(CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c(C(CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c1O |c:16,38|
Show InChI InChI=1S/C42H60O10/c1-14-15-16-17-24(43)29-31(45)25(22(18-20(2)3)27-33(47)39(6,7)37(51)40(8,9)34(27)48)30(44)26(32(29)46)23(19-21(4)5)28-35(49)41(10,11)38(52)42(12,13)36(28)50/h20-23,44-47,49H,14-19H2,1-13H3
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n/an/a 460n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in ionophore A23187-stimulated human PMNL using arachidonic acid as substrate assessed as formation of LTB4, 5(S),12(S)-DiHETE, 5-...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50114422
PNG
(CHEMBL3608860)
Show SMILES OC1=C(C(c2ccccc2)c2c(O)c(C(C3=C(O)c4ccccc4C3=O)c3ccccc3)c(O)c(C(=O)c3ccccc3)c2O)C(=O)c2ccccc12 |c:1,16|
Show InChI InChI=1S/C45H30O8/c46-38(26-18-8-3-9-19-26)37-44(52)35(31(24-14-4-1-5-15-24)33-39(47)27-20-10-11-21-28(27)40(33)48)43(51)36(45(37)53)32(25-16-6-2-7-17-25)34-41(49)29-22-12-13-23-30(29)42(34)50/h1-23,31-32,47,49,51-53H
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n/an/a 480n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in microsomal membranes isolated from interleukin-1beta-stimulated human A549 cells using PGH2 as substrate assessed as PGE2 fo...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50114551
PNG
(CHEMBL3608367)
Show SMILES CC(C)[C@H](C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)c2[C@@H](C(C)C)C3=C(Oc2c(C(=O)C(C)C)c1O)C(C)(C)C(=O)C(C)(C)C3=O |r,c:4,26|
Show InChI InChI=1S/C38H50O9/c1-15(2)18(22-29(42)35(7,8)33(45)36(9,10)30(22)43)20-26(40)21-19(16(3)4)23-31(44)37(11,12)34(46)38(13,14)32(23)47-28(21)24(27(20)41)25(39)17(5)6/h15-19,40-42H,1-14H3/t18-,19+/m0/s1
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n/an/a 490n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in microsomal membranes isolated from interleukin-1beta-stimulated human A549 cells using PGH2 as substrate assessed as PGE2 fo...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50114560
PNG
(CHEMBL3608374)
Show SMILES CCCCCC(=O)c1c(O)c(C(C(C)C)C2=C(O)CC(C)(C)CC2=O)c(O)c(C(C(C)C)C2=C(O)CC(C)(C)CC2=O)c1O |c:15,33|
Show InChI InChI=1S/C36H52O8/c1-10-11-12-13-20(37)29-32(42)30(25(18(2)3)27-21(38)14-35(6,7)15-22(27)39)34(44)31(33(29)43)26(19(4)5)28-23(40)16-36(8,9)17-24(28)41/h18-19,25-26,38,40,42-44H,10-17H2,1-9H3
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n/an/a 570n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in microsomal membranes isolated from interleukin-1beta-stimulated human A549 cells using PGH2 as substrate assessed as PGE2 fo...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50114567
PNG
(Myrtucommulone F)
Show SMILES CCCCCC(=O)c1c(O)c([C@@H](C(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c([C@@H](C(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c1O |r,c:15,36|
Show InChI InChI=1S/C40H56O10/c1-14-15-16-17-20(41)23-28(42)24(21(18(2)3)26-31(45)37(6,7)35(49)38(8,9)32(26)46)30(44)25(29(23)43)22(19(4)5)27-33(47)39(10,11)36(50)40(12,13)34(27)48/h18-19,21-22,42-45,47H,14-17H2,1-13H3/t21-,22-/m1/s1
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n/an/a 600n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in microsomal membranes isolated from interleukin-1beta-stimulated human A549 cells using PGH2 as substrate assessed as PGE2 fo...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50114552
PNG
(CHEMBL3608368)
Show SMILES CCCCCC(=O)c1c(O)c(C(C(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c2C(C(C)C)C3=C(Oc12)C(C)(C)C(=O)C(C)(C)C3=O |c:15,36|
Show InChI InChI=1S/C40H54O9/c1-14-15-16-17-20(41)23-28(42)24(21(18(2)3)26-31(44)37(6,7)35(47)38(8,9)32(26)45)29(43)25-22(19(4)5)27-33(46)39(10,11)36(48)40(12,13)34(27)49-30(23)25/h18-19,21-22,42-44H,14-17H2,1-13H3
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n/an/a 610n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in microsomal membranes isolated from interleukin-1beta-stimulated human A549 cells using PGH2 as substrate assessed as PGE2 fo...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50114431
PNG
(CHEMBL3608364)
Show SMILES CC(C)CC(C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)cc(O)c(C(=O)CC(C)C)c1O |c:5|
Show InChI InChI=1S/C26H36O7/c1-12(2)9-14(19-22(31)25(5,6)24(33)26(7,8)23(19)32)18-16(28)11-17(29)20(21(18)30)15(27)10-13(3)4/h11-14,28-31H,9-10H2,1-8H3
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n/an/a 640n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in microsomal membranes isolated from interleukin-1beta-stimulated human A549 cells using PGH2 as substrate assessed as PGE2 fo...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50114421
PNG
(CHEMBL3608859)
Show SMILES CC(C)CC(=O)c1c(O)c(C(C2=C(O)c3ccccc3C2=O)c2ccccc2)c(O)c(C(C2=C(O)c3ccccc3C2=O)c2ccccc2)c1O |c:11,35|
Show InChI InChI=1S/C43H34O8/c1-22(2)21-29(44)32-41(49)35(30(23-13-5-3-6-14-23)33-37(45)25-17-9-10-18-26(25)38(33)46)43(51)36(42(32)50)31(24-15-7-4-8-16-24)34-39(47)27-19-11-12-20-28(27)40(34)48/h3-20,22,30-31,45,47,49-51H,21H2,1-2H3
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n/an/a 650n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in microsomal membranes isolated from interleukin-1beta-stimulated human A549 cells using PGH2 as substrate assessed as PGE2 fo...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114427
PNG
(CHEMBL3608361)
Show SMILES CC(C)CC(C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)c(C(CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c(C(=O)CC(C)C)c1O |c:5,28|
Show InChI InChI=1S/C41H58O10/c1-18(2)15-21(26-32(46)38(7,8)36(50)39(9,10)33(26)47)24-29(43)25(31(45)28(30(24)44)23(42)17-20(5)6)22(16-19(3)4)27-34(48)40(11,12)37(51)41(13,14)35(27)49/h18-22,43-46,48H,15-17H2,1-14H3
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n/an/a 660n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in ionophore A23187-stimulated human PMNL using arachidonic acid as substrate assessed as formation of LTB4, 5(S),12(S)-DiHETE, 5-...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50114554
PNG
(CHEMBL3608370)
Show SMILES CC(C)C(C1=C(O)CC(C)(C)CC1=O)c1c(O)c(C(C(C)C)C2=C(O)CC(C)(C)CC2=O)c(O)c(C(C(C)C)C2=C(O)CC(C)(C)CC2=O)c1O |c:4,23,41|
Show InChI InChI=1S/C42H60O9/c1-19(2)28(31-22(43)13-40(7,8)14-23(31)44)34-37(49)35(29(20(3)4)32-24(45)15-41(9,10)16-25(32)46)39(51)36(38(34)50)30(21(5)6)33-26(47)17-42(11,12)18-27(33)48/h19-21,28-30,43,45,47,49-51H,13-18H2,1-12H3
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n/an/a 680n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in microsomal membranes isolated from interleukin-1beta-stimulated human A549 cells using PGH2 as substrate assessed as PGE2 fo...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50114566
PNG
(CHEMBL3608856)
Show SMILES CC(C)C(C1=C(O)c2ccccc2C1=O)c1c(O)c(C(C(C)C)C2=C(O)c3ccccc3C2=O)c(O)c(C(=O)c2ccccc2)c1O |c:4,25|
Show InChI InChI=1S/C39H34O8/c1-18(2)25(27-33(41)21-14-8-9-15-22(21)34(27)42)29-37(45)30(39(47)31(38(29)46)32(40)20-12-6-5-7-13-20)26(19(3)4)28-35(43)23-16-10-11-17-24(23)36(28)44/h5-19,25-26,41,43,45-47H,1-4H3
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n/an/a 680n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in microsomal membranes isolated from interleukin-1beta-stimulated human A549 cells using PGH2 as substrate assessed as PGE2 fo...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114420
PNG
(CHEMBL3608858)
Show SMILES CCCCCC(=O)c1c(O)c(C(C2=C(O)c3ccccc3C2=O)c2ccccc2)c(O)c(C(C2=C(O)c3ccccc3C2=O)c2ccccc2)c1O |c:12,36|
Show InChI InChI=1S/C44H36O8/c1-2-3-6-23-30(45)33-42(50)36(31(24-15-7-4-8-16-24)34-38(46)26-19-11-12-20-27(26)39(34)47)44(52)37(43(33)51)32(25-17-9-5-10-18-25)35-40(48)28-21-13-14-22-29(28)41(35)49/h4-5,7-22,31-32,46,48,50-52H,2-3,6,23H2,1H3
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n/an/a 690n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in ionophore A23187-stimulated human PMNL using arachidonic acid as substrate assessed as formation of LTB4, 5(S),12(S)-DiHETE, 5-...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114419
PNG
(CHEMBL3608857)
Show SMILES CC(C)C(=O)c1c(O)c(C(C2=C(O)c3ccccc3C2=O)c2ccccc2)c(O)c(C(C2=C(O)c3ccccc3C2=O)c2ccccc2)c1O |c:10,34|
Show InChI InChI=1S/C42H32O8/c1-21(2)35(43)34-41(49)32(28(22-13-5-3-6-14-22)30-36(44)24-17-9-10-18-25(24)37(30)45)40(48)33(42(34)50)29(23-15-7-4-8-16-23)31-38(46)26-19-11-12-20-27(26)39(31)47/h3-21,28-29,44,46,48-50H,1-2H3
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n/an/a 730n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as formation of all-trans isomer...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50114562
PNG
(CHEMBL3608376)
Show SMILES CCCCCC(=O)c1c(O)c(C(CC(C)C)C2=C(O)CC(C)(C)CC2=O)c(O)c(C(CC(C)C)C2=C(O)CC(C)(C)CC2=O)c1O |c:16,35|
Show InChI InChI=1S/C38H56O8/c1-10-11-12-13-24(39)33-35(45)31(22(14-20(2)3)29-25(40)16-37(6,7)17-26(29)41)34(44)32(36(33)46)23(15-21(4)5)30-27(42)18-38(8,9)19-28(30)43/h20-23,40,42,44-46H,10-19H2,1-9H3
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n/an/a 810n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in microsomal membranes isolated from interleukin-1beta-stimulated human A549 cells using PGH2 as substrate assessed as PGE2 fo...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50114419
PNG
(CHEMBL3608857)
Show SMILES CC(C)C(=O)c1c(O)c(C(C2=C(O)c3ccccc3C2=O)c2ccccc2)c(O)c(C(C2=C(O)c3ccccc3C2=O)c2ccccc2)c1O |c:10,34|
Show InChI InChI=1S/C42H32O8/c1-21(2)35(43)34-41(49)32(28(22-13-5-3-6-14-22)30-36(44)24-17-9-10-18-25(24)37(30)45)40(48)33(42(34)50)29(23-15-7-4-8-16-23)31-38(46)26-19-11-12-20-27(26)39(31)47/h3-21,28-29,44,46,48-50H,1-2H3
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n/an/a 810n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in microsomal membranes isolated from interleukin-1beta-stimulated human A549 cells using PGH2 as substrate assessed as PGE2 fo...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50114429
PNG
(CHEMBL3608362)
Show SMILES CC(C)C(C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)cc(O)c(C(=O)C(C)C)c1O |c:4|
Show InChI InChI=1S/C24H32O7/c1-10(2)14(17-20(29)23(5,6)22(31)24(7,8)21(17)30)15-12(25)9-13(26)16(19(15)28)18(27)11(3)4/h9-11,14,25-26,28-29H,1-8H3
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n/an/a 820n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in microsomal membranes isolated from interleukin-1beta-stimulated human A549 cells using PGH2 as substrate assessed as PGE2 fo...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114426
PNG
(CHEMBL3608360)
Show SMILES CC(C)CC(C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)c(C(CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c(C(=O)C(C)C)c1O |c:5,28|
Show InChI InChI=1S/C40H56O10/c1-17(2)15-20(24-31(45)37(7,8)35(49)38(9,10)32(24)46)22-28(42)23(30(44)26(29(22)43)27(41)19(5)6)21(16-18(3)4)25-33(47)39(11,12)36(50)40(13,14)34(25)48/h17-21,42-45,47H,15-16H2,1-14H3
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n/an/a 970n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in ionophore A23187-stimulated human PMNL using arachidonic acid as substrate assessed as formation of LTB4, 5(S),12(S)-DiHETE, 5-...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114551
PNG
(CHEMBL3608367)
Show SMILES CC(C)[C@H](C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)c2[C@@H](C(C)C)C3=C(Oc2c(C(=O)C(C)C)c1O)C(C)(C)C(=O)C(C)(C)C3=O |r,c:4,26|
Show InChI InChI=1S/C38H50O9/c1-15(2)18(22-29(42)35(7,8)33(45)36(9,10)30(22)43)20-26(40)21-19(16(3)4)23-31(44)37(11,12)34(46)38(13,14)32(23)47-28(21)24(27(20)41)25(39)17(5)6/h15-19,40-42H,1-14H3/t18-,19+/m0/s1
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n/an/a 980n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in ionophore A23187-stimulated human PMNL using arachidonic acid as substrate assessed as formation of LTB4, 5(S),12(S)-DiHETE, 5-...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50114423
PNG
(MYRTUCOMMULONE A)
Show SMILES CC(C)[C@@H](C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)c([C@@H](C(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c(C(=O)C(C)C)c1O |r,c:4,26|
Show InChI InChI=1S/C38H52O10/c1-15(2)18(22-29(43)35(7,8)33(47)36(9,10)30(22)44)20-26(40)21(28(42)24(27(20)41)25(39)17(5)6)19(16(3)4)23-31(45)37(11,12)34(48)38(13,14)32(23)46/h15-19,40-43,45H,1-14H3/t18-,19-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in microsomal membranes isolated from interleukin-1beta-stimulated human A549 cells using PGH2 as substrate assessed as PGE2 fo...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50114556
PNG
(CHEMBL3608372)
Show SMILES CC(C)C(C1=C(O)CC(C)(C)CC1=O)c1c(O)c(C(C(C)C)C2=C(O)CC(C)(C)CC2=O)c(O)c(C(C)=O)c1O |c:4,23|
Show InChI InChI=1S/C32H44O8/c1-14(2)21(24-17(34)10-31(6,7)11-18(24)35)26-28(38)23(16(5)33)29(39)27(30(26)40)22(15(3)4)25-19(36)12-32(8,9)13-20(25)37/h14-15,21-22,34,36,38-40H,10-13H2,1-9H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in microsomal membranes isolated from interleukin-1beta-stimulated human A549 cells using PGH2 as substrate assessed as PGE2 fo...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114421
PNG
(CHEMBL3608859)
Show SMILES CC(C)CC(=O)c1c(O)c(C(C2=C(O)c3ccccc3C2=O)c2ccccc2)c(O)c(C(C2=C(O)c3ccccc3C2=O)c2ccccc2)c1O |c:11,35|
Show InChI InChI=1S/C43H34O8/c1-22(2)21-29(44)32-41(49)35(30(23-13-5-3-6-14-23)33-37(45)25-17-9-10-18-26(25)38(33)46)43(51)36(42(32)50)31(24-15-7-4-8-16-24)34-39(47)27-19-11-12-20-28(27)40(34)48/h3-20,22,30-31,45,47,49-51H,21H2,1-2H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as formation of all-trans isomer...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114428
PNG
(Myrtucommulone H)
Show SMILES CCCCCC(=O)c1c(O)c([C@@H](CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c([C@@H](C(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c1O |r,c:16,37|
Show InChI InChI=1S/C41H58O10/c1-14-15-16-17-22(42)26-29(43)24(21(18-19(2)3)25-32(46)38(6,7)36(50)39(8,9)33(25)47)30(44)27(31(26)45)23(20(4)5)28-34(48)40(10,11)37(51)41(12,13)35(28)49/h19-21,23,43-46,48H,14-18H2,1-13H3/t21-,23-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in ionophore A23187-stimulated human PMNL using arachidonic acid as substrate assessed as formation of LTB4, 5(S),12(S)-DiHETE, 5-...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114552
PNG
(CHEMBL3608368)
Show SMILES CCCCCC(=O)c1c(O)c(C(C(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c2C(C(C)C)C3=C(Oc12)C(C)(C)C(=O)C(C)(C)C3=O |c:15,36|
Show InChI InChI=1S/C40H54O9/c1-14-15-16-17-20(41)23-28(42)24(21(18(2)3)26-31(44)37(6,7)35(47)38(8,9)32(26)45)29(43)25-22(19(4)5)27-33(46)39(10,11)36(48)40(12,13)34(27)49-30(23)25/h18-19,21-22,42-44H,14-17H2,1-13H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in ionophore A23187-stimulated human PMNL using arachidonic acid as substrate assessed as formation of LTB4, 5(S),12(S)-DiHETE, 5-...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114565
PNG
(CHEMBL3608855)
Show SMILES CC(C)CC(=O)c1c(O)c(C(C(C)C)C2=C(O)c3ccccc3C2=O)c(O)c(C(C(C)C)C2=C(O)c3ccccc3C2=O)c1O |c:14,34|
Show InChI InChI=1S/C37H38O8/c1-16(2)15-23(38)26-35(43)29(24(17(3)4)27-31(39)19-11-7-8-12-20(19)32(27)40)37(45)30(36(26)44)25(18(5)6)28-33(41)21-13-9-10-14-22(21)34(28)42/h7-14,16-18,24-25,39,41,43-45H,15H2,1-6H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in ionophore A23187-stimulated human PMNL using arachidonic acid as substrate assessed as formation of LTB4, 5(S),12(S)-DiHETE, 5-...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114419
PNG
(CHEMBL3608857)
Show SMILES CC(C)C(=O)c1c(O)c(C(C2=C(O)c3ccccc3C2=O)c2ccccc2)c(O)c(C(C2=C(O)c3ccccc3C2=O)c2ccccc2)c1O |c:10,34|
Show InChI InChI=1S/C42H32O8/c1-21(2)35(43)34-41(49)32(28(22-13-5-3-6-14-22)30-36(44)24-17-9-10-18-25(24)37(30)45)40(48)33(42(34)50)29(23-15-7-4-8-16-23)31-38(46)26-19-11-12-20-27(26)39(31)47/h3-21,28-29,44,46,48-50H,1-2H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in ionophore A23187-stimulated human PMNL using arachidonic acid as substrate assessed as formation of LTB4, 5(S),12(S)-DiHETE, 5-...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114564
PNG
(CHEMBL3608378)
Show SMILES CCCCCC(=O)c1c(O)c(C(C(C)C)C2=C(O)c3ccccc3C2=O)c(O)c(C(C(C)C)C2=C(O)c3ccccc3C2=O)c1O |c:15,35|
Show InChI InChI=1S/C38H40O8/c1-6-7-8-17-24(39)27-36(44)30(25(18(2)3)28-32(40)20-13-9-10-14-21(20)33(28)41)38(46)31(37(27)45)26(19(4)5)29-34(42)22-15-11-12-16-23(22)35(29)43/h9-16,18-19,25-26,40,42,44-46H,6-8,17H2,1-5H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in ionophore A23187-stimulated human PMNL using arachidonic acid as substrate assessed as formation of LTB4, 5(S),12(S)-DiHETE, 5-...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114430
PNG
(CHEMBL3608363)
Show SMILES CCCCCC(=O)c1c(O)cc(O)c(C(C(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c1O |c:18|
Show InChI InChI=1S/C26H36O7/c1-8-9-10-11-14(27)18-15(28)12-16(29)19(21(18)30)17(13(2)3)20-22(31)25(4,5)24(33)26(6,7)23(20)32/h12-13,17,28-31H,8-11H2,1-7H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in ionophore A23187-stimulated human PMNL using arachidonic acid as substrate assessed as formation of LTB4, 5(S),12(S)-DiHETE, 5-...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114550
PNG
(CHEMBL3608366)
Show SMILES CCCCCC(=O)c1c(O)cc(O)c2C(C(C)C)C3=C(Oc12)C(C)(C)C(=O)C(C)(C)C3=O |c:18|
Show InChI InChI=1S/C26H34O6/c1-8-9-10-11-14(27)18-15(28)12-16(29)19-17(13(2)3)20-22(30)25(4,5)24(31)26(6,7)23(20)32-21(18)19/h12-13,17,28-29H,8-11H2,1-7H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in ionophore A23187-stimulated human PMNL using arachidonic acid as substrate assessed as formation of LTB4, 5(S),12(S)-DiHETE, 5-...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114549
PNG
(CHEMBL3608365)
Show SMILES CC(C)[C@H]1C2=C(Oc3c1c(O)cc(O)c3C(=O)C(C)C)C(C)(C)C(=O)C(C)(C)C2=O |r,c:4|
Show InChI InChI=1S/C24H30O6/c1-10(2)14-15-12(25)9-13(26)16(18(27)11(3)4)19(15)30-21-17(14)20(28)23(5,6)22(29)24(21,7)8/h9-11,14,25-26H,1-8H3/t14-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in ionophore A23187-stimulated human PMNL using arachidonic acid as substrate assessed as formation of LTB4, 5(S),12(S)-DiHETE, 5-...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114564
PNG
(CHEMBL3608378)
Show SMILES CCCCCC(=O)c1c(O)c(C(C(C)C)C2=C(O)c3ccccc3C2=O)c(O)c(C(C(C)C)C2=C(O)c3ccccc3C2=O)c1O |c:15,35|
Show InChI InChI=1S/C38H40O8/c1-6-7-8-17-24(39)27-36(44)30(25(18(2)3)28-32(40)20-13-9-10-14-21(20)33(28)41)38(46)31(37(27)45)26(19(4)5)29-34(42)22-15-11-12-16-23(22)35(29)43/h9-16,18-19,25-26,40,42,44-46H,6-8,17H2,1-5H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as formation of all-trans isomer...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114422
PNG
(CHEMBL3608860)
Show SMILES OC1=C(C(c2ccccc2)c2c(O)c(C(C3=C(O)c4ccccc4C3=O)c3ccccc3)c(O)c(C(=O)c3ccccc3)c2O)C(=O)c2ccccc12 |c:1,16|
Show InChI InChI=1S/C45H30O8/c46-38(26-18-8-3-9-19-26)37-44(52)35(31(24-14-4-1-5-15-24)33-39(47)27-20-10-11-21-28(27)40(33)48)43(51)36(45(37)53)32(25-16-6-2-7-17-25)34-41(49)29-22-12-13-23-30(29)42(34)50/h1-23,31-32,47,49,51-53H
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in ionophore A23187-stimulated human PMNL using arachidonic acid as substrate assessed as formation of LTB4, 5(S),12(S)-DiHETE, 5-...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114423
PNG
(MYRTUCOMMULONE A)
Show SMILES CC(C)[C@@H](C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)c([C@@H](C(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c(C(=O)C(C)C)c1O |r,c:4,26|
Show InChI InChI=1S/C38H52O10/c1-15(2)18(22-29(43)35(7,8)33(47)36(9,10)30(22)44)20-26(40)21(28(42)24(27(20)41)25(39)17(5)6)19(16(3)4)23-31(45)37(11,12)34(48)38(13,14)32(23)46/h15-19,40-43,45H,1-14H3/t18-,19-/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in ionomycin-stimulated human PMNL using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition mea...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114431
PNG
(CHEMBL3608364)
Show SMILES CC(C)CC(C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)cc(O)c(C(=O)CC(C)C)c1O |c:5|
Show InChI InChI=1S/C26H36O7/c1-12(2)9-14(19-22(31)25(5,6)24(33)26(7,8)23(19)32)18-16(28)11-17(29)20(21(18)30)15(27)10-13(3)4/h11-14,28-31H,9-10H2,1-8H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in ionophore A23187-stimulated human PMNL using arachidonic acid as substrate assessed as formation of LTB4, 5(S),12(S)-DiHETE, 5-...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114421
PNG
(CHEMBL3608859)
Show SMILES CC(C)CC(=O)c1c(O)c(C(C2=C(O)c3ccccc3C2=O)c2ccccc2)c(O)c(C(C2=C(O)c3ccccc3C2=O)c2ccccc2)c1O |c:11,35|
Show InChI InChI=1S/C43H34O8/c1-22(2)21-29(44)32-41(49)35(30(23-13-5-3-6-14-23)33-37(45)25-17-9-10-18-26(25)38(33)46)43(51)36(42(32)50)31(24-15-7-4-8-16-24)34-39(47)27-19-11-12-20-28(27)40(34)48/h3-20,22,30-31,45,47,49-51H,21H2,1-2H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in ionophore A23187-stimulated human PMNL using arachidonic acid as substrate assessed as formation of LTB4, 5(S),12(S)-DiHETE, 5-...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50114557
PNG
(CHEMBL3608373)
Show SMILES CC(C)C(C1=C(O)CC(C)(C)CC1=O)c1c(O)c(C(C(C)C)C2=C(O)CC(C)(C)CC2=O)c(O)c(C(=O)C(C)C)c1O |c:4,23|
Show InChI InChI=1S/C34H48O8/c1-15(2)22(24-18(35)11-33(7,8)12-19(24)36)26-30(40)27(32(42)28(31(26)41)29(39)17(5)6)23(16(3)4)25-20(37)13-34(9,10)14-21(25)38/h15-17,22-23,35,37,40-42H,11-14H2,1-10H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in microsomal membranes isolated from interleukin-1beta-stimulated human A549 cells using PGH2 as substrate assessed as PGE2 fo...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114550
PNG
(CHEMBL3608366)
Show SMILES CCCCCC(=O)c1c(O)cc(O)c2C(C(C)C)C3=C(Oc12)C(C)(C)C(=O)C(C)(C)C3=O |c:18|
Show InChI InChI=1S/C26H34O6/c1-8-9-10-11-14(27)18-15(28)12-16(29)19-17(13(2)3)20-22(30)25(4,5)24(31)26(6,7)23(20)32-21(18)19/h12-13,17,28-29H,8-11H2,1-7H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as formation of all-trans isomer...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114427
PNG
(CHEMBL3608361)
Show SMILES CC(C)CC(C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)c(C(CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c(C(=O)CC(C)C)c1O |c:5,28|
Show InChI InChI=1S/C41H58O10/c1-18(2)15-21(26-32(46)38(7,8)36(50)39(9,10)33(26)47)24-29(43)25(31(45)28(30(24)44)23(42)17-20(5)6)22(16-19(3)4)27-34(48)40(11,12)37(51)41(13,14)35(27)49/h18-22,43-46,48H,15-17H2,1-14H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as formation of all-trans isomer...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114560
PNG
(CHEMBL3608374)
Show SMILES CCCCCC(=O)c1c(O)c(C(C(C)C)C2=C(O)CC(C)(C)CC2=O)c(O)c(C(C(C)C)C2=C(O)CC(C)(C)CC2=O)c1O |c:15,33|
Show InChI InChI=1S/C36H52O8/c1-10-11-12-13-20(37)29-32(42)30(25(18(2)3)27-21(38)14-35(6,7)15-22(27)39)34(44)31(33(29)43)26(19(4)5)28-23(40)16-36(8,9)17-24(28)41/h18-19,25-26,38,40,42-44H,10-17H2,1-9H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in ionophore A23187-stimulated human PMNL using arachidonic acid as substrate assessed as formation of LTB4, 5(S),12(S)-DiHETE, 5-...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114554
PNG
(CHEMBL3608370)
Show SMILES CC(C)C(C1=C(O)CC(C)(C)CC1=O)c1c(O)c(C(C(C)C)C2=C(O)CC(C)(C)CC2=O)c(O)c(C(C(C)C)C2=C(O)CC(C)(C)CC2=O)c1O |c:4,23,41|
Show InChI InChI=1S/C42H60O9/c1-19(2)28(31-22(43)13-40(7,8)14-23(31)44)34-37(49)35(29(20(3)4)32-24(45)15-41(9,10)16-25(32)46)39(51)36(38(34)50)30(21(5)6)33-26(47)17-42(11,12)18-27(33)48/h19-21,28-30,43,45,47,49-51H,13-18H2,1-12H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as formation of all-trans isomer...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114562
PNG
(CHEMBL3608376)
Show SMILES CCCCCC(=O)c1c(O)c(C(CC(C)C)C2=C(O)CC(C)(C)CC2=O)c(O)c(C(CC(C)C)C2=C(O)CC(C)(C)CC2=O)c1O |c:16,35|
Show InChI InChI=1S/C38H56O8/c1-10-11-12-13-24(39)33-35(45)31(22(14-20(2)3)29-25(40)16-37(6,7)17-26(29)41)34(44)32(36(33)46)23(15-21(4)5)30-27(42)18-38(8,9)19-28(30)43/h20-23,40,42,44-46H,10-19H2,1-9H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as formation of all-trans isomer...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114422
PNG
(CHEMBL3608860)
Show SMILES OC1=C(C(c2ccccc2)c2c(O)c(C(C3=C(O)c4ccccc4C3=O)c3ccccc3)c(O)c(C(=O)c3ccccc3)c2O)C(=O)c2ccccc12 |c:1,16|
Show InChI InChI=1S/C45H30O8/c46-38(26-18-8-3-9-19-26)37-44(52)35(31(24-14-4-1-5-15-24)33-39(47)27-20-10-11-21-28(27)40(33)48)43(51)36(45(37)53)32(25-16-6-2-7-17-25)34-41(49)29-22-12-13-23-30(29)42(34)50/h1-23,31-32,47,49,51-53H
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as formation of all-trans isomer...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114567
PNG
(Myrtucommulone F)
Show SMILES CCCCCC(=O)c1c(O)c([C@@H](C(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c([C@@H](C(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c1O |r,c:15,36|
Show InChI InChI=1S/C40H56O10/c1-14-15-16-17-20(41)23-28(42)24(21(18(2)3)26-31(45)37(6,7)35(49)38(8,9)32(26)46)30(44)25(29(23)43)22(19(4)5)27-33(47)39(10,11)36(50)40(12,13)34(27)48/h18-19,21-22,42-45,47H,14-17H2,1-13H3/t21-,22-/m1/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in ionophore A23187-stimulated human PMNL using arachidonic acid as substrate assessed as formation of LTB4, 5(S),12(S)-DiHETE, 5-...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114565
PNG
(CHEMBL3608855)
Show SMILES CC(C)CC(=O)c1c(O)c(C(C(C)C)C2=C(O)c3ccccc3C2=O)c(O)c(C(C(C)C)C2=C(O)c3ccccc3C2=O)c1O |c:14,34|
Show InChI InChI=1S/C37H38O8/c1-16(2)15-23(38)26-35(43)29(24(17(3)4)27-31(39)19-11-7-8-12-20(19)32(27)40)37(45)30(36(26)44)25(18(5)6)28-33(41)21-13-9-10-14-22(21)34(28)42/h7-14,16-18,24-25,39,41,43-45H,15H2,1-6H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as formation of all-trans isomer...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114566
PNG
(CHEMBL3608856)
Show SMILES CC(C)C(C1=C(O)c2ccccc2C1=O)c1c(O)c(C(C(C)C)C2=C(O)c3ccccc3C2=O)c(O)c(C(=O)c2ccccc2)c1O |c:4,25|
Show InChI InChI=1S/C39H34O8/c1-18(2)25(27-33(41)21-14-8-9-15-22(21)34(27)42)29-37(45)30(39(47)31(38(29)46)32(40)20-12-6-5-7-13-20)26(19(3)4)28-35(43)23-16-10-11-17-24(23)36(28)44/h5-19,25-26,41,43,45-47H,1-4H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in ionophore A23187-stimulated human PMNL using arachidonic acid as substrate assessed as formation of LTB4, 5(S),12(S)-DiHETE, 5-...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114423
PNG
(MYRTUCOMMULONE A)
Show SMILES CC(C)[C@@H](C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)c([C@@H](C(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c(C(=O)C(C)C)c1O |r,c:4,26|
Show InChI InChI=1S/C38H52O10/c1-15(2)18(22-29(43)35(7,8)33(47)36(9,10)30(22)44)20-26(40)21(28(42)24(27(20)41)25(39)17(5)6)19(16(3)4)23-31(45)37(11,12)34(48)38(13,14)32(23)46/h15-19,40-43,45H,1-14H3/t18-,19-/m1/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in ionophore A23187-stimulated human PMNL using arachidonic acid as substrate assessed as formation of LTB4, 5(S),12(S)-DiHETE, 5-...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114425
PNG
(CHEMBL3608359)
Show SMILES CCCCCC(=O)c1c(O)c(C(CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c(C(CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c1O |c:16,38|
Show InChI InChI=1S/C42H60O10/c1-14-15-16-17-24(43)29-31(45)25(22(18-20(2)3)27-33(47)39(6,7)37(51)40(8,9)34(27)48)30(44)26(32(29)46)23(19-21(4)5)28-35(49)41(10,11)38(52)42(12,13)36(28)50/h20-23,44-47,49H,14-19H2,1-13H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as formation of all-trans isomer...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50114561
PNG
(CHEMBL3608375)
Show SMILES CC(C)C(C1=C(O)CC(C)(C)CC1=O)c1c(O)c(C(C(C)C)C2=C(O)CC(C)(C)CC2=O)c(O)c(C(=O)c2ccccc2)c1O |c:4,23|
Show InChI InChI=1S/C37H46O8/c1-18(2)25(27-21(38)14-36(5,6)15-22(27)39)29-33(43)30(26(19(3)4)28-23(40)16-37(7,8)17-24(28)41)35(45)31(34(29)44)32(42)20-12-10-9-11-13-20/h9-13,18-19,25-26,38,40,43-45H,14-17H2,1-8H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in microsomal membranes isolated from interleukin-1beta-stimulated human A549 cells using PGH2 as substrate assessed as PGE2 fo...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114431
PNG
(CHEMBL3608364)
Show SMILES CC(C)CC(C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)cc(O)c(C(=O)CC(C)C)c1O |c:5|
Show InChI InChI=1S/C26H36O7/c1-12(2)9-14(19-22(31)25(5,6)24(33)26(7,8)23(19)32)18-16(28)11-17(29)20(21(18)30)15(27)10-13(3)4/h11-14,28-31H,9-10H2,1-8H3
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n/an/a 4.60E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as formation of all-trans isomer...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114426
PNG
(CHEMBL3608360)
Show SMILES CC(C)CC(C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)c(C(CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c(C(=O)C(C)C)c1O |c:5,28|
Show InChI InChI=1S/C40H56O10/c1-17(2)15-20(24-31(45)37(7,8)35(49)38(9,10)32(24)46)22-28(42)23(30(44)26(29(22)43)27(41)19(5)6)21(16-18(3)4)25-33(47)39(11,12)36(50)40(13,14)34(25)48/h17-21,42-45,47H,15-16H2,1-14H3
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n/an/a 4.80E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as formation of all-trans isomer...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114423
PNG
(MYRTUCOMMULONE A)
Show SMILES CC(C)[C@@H](C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)c([C@@H](C(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c(C(=O)C(C)C)c1O |r,c:4,26|
Show InChI InChI=1S/C38H52O10/c1-15(2)18(22-29(43)35(7,8)33(47)36(9,10)30(22)44)20-26(40)21(28(42)24(27(20)41)25(39)17(5)6)19(16(3)4)23-31(45)37(11,12)34(48)38(13,14)32(23)46/h15-19,40-43,45H,1-14H3/t18-,19-/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli JM109 using arachidonic acid as substrate assessed as formation of LTB4, 5(S),12(S...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50114424
PNG
(CHEMBL3608358)
Show SMILES CC(C)C(C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)c(C(C(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c(C(=O)c2ccccc2)c1O |c:4,26|
Show InChI InChI=1S/C41H50O10/c1-18(2)21(25-32(46)38(5,6)36(50)39(7,8)33(25)47)23-29(43)24(31(45)27(30(23)44)28(42)20-16-14-13-15-17-20)22(19(3)4)26-34(48)40(9,10)37(51)41(11,12)35(26)49/h13-19,21-22,43-46,48H,1-12H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in microsomal membranes isolated from interleukin-1beta-stimulated human A549 cells using PGH2 as substrate assessed as PGE2 fo...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114549
PNG
(CHEMBL3608365)
Show SMILES CC(C)[C@H]1C2=C(Oc3c1c(O)cc(O)c3C(=O)C(C)C)C(C)(C)C(=O)C(C)(C)C2=O |r,c:4|
Show InChI InChI=1S/C24H30O6/c1-10(2)14-15-12(25)9-13(26)16(18(27)11(3)4)19(15)30-21-17(14)20(28)23(5,6)22(29)24(21,7)8/h9-11,14,25-26H,1-8H3/t14-/m1/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as formation of all-trans isomer...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50114550
PNG
(CHEMBL3608366)
Show SMILES CCCCCC(=O)c1c(O)cc(O)c2C(C(C)C)C3=C(Oc12)C(C)(C)C(=O)C(C)(C)C3=O |c:18|
Show InChI InChI=1S/C26H34O6/c1-8-9-10-11-14(27)18-15(28)12-16(29)19-17(13(2)3)20-22(30)25(4,5)24(31)26(6,7)23(20)32-21(18)19/h12-13,17,28-29H,8-11H2,1-7H3
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n/an/a 6.40E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in microsomal membranes isolated from interleukin-1beta-stimulated human A549 cells using PGH2 as substrate assessed as PGE2 fo...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114428
PNG
(Myrtucommulone H)
Show SMILES CCCCCC(=O)c1c(O)c([C@@H](CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c([C@@H](C(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c1O |r,c:16,37|
Show InChI InChI=1S/C41H58O10/c1-14-15-16-17-22(42)26-29(43)24(21(18-19(2)3)25-32(46)38(6,7)36(50)39(8,9)33(25)47)30(44)27(31(26)45)23(20(4)5)28-34(48)40(10,11)37(51)41(12,13)35(28)49/h19-21,23,43-46,48H,14-18H2,1-13H3/t21-,23-/m1/s1
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n/an/a 6.60E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as formation of all-trans isomer...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114563
PNG
(CHEMBL3608377)
Show SMILES CC(C)C(C1=C(O)c2ccccc2C1=O)c1c(O)c(C(C(C)C)C2=C(O)c3ccccc3C2=O)c(O)c(C(=O)C(C)C)c1O |c:4,25|
Show InChI InChI=1S/C36H36O8/c1-15(2)22(24-30(38)18-11-7-8-12-19(18)31(24)39)26-34(42)27(36(44)28(35(26)43)29(37)17(5)6)23(16(3)4)25-32(40)20-13-9-10-14-21(20)33(25)41/h7-17,22-23,38,40,42-44H,1-6H3
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n/an/a 6.70E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in ionophore A23187-stimulated human PMNL using arachidonic acid as substrate assessed as formation of LTB4, 5(S),12(S)-DiHETE, 5-...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114566
PNG
(CHEMBL3608856)
Show SMILES CC(C)C(C1=C(O)c2ccccc2C1=O)c1c(O)c(C(C(C)C)C2=C(O)c3ccccc3C2=O)c(O)c(C(=O)c2ccccc2)c1O |c:4,25|
Show InChI InChI=1S/C39H34O8/c1-18(2)25(27-33(41)21-14-8-9-15-22(21)34(27)42)29-37(45)30(39(47)31(38(29)46)32(40)20-12-6-5-7-13-20)26(19(3)4)28-35(43)23-16-10-11-17-24(23)36(28)44/h5-19,25-26,41,43,45-47H,1-4H3
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n/an/a 6.90E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as formation of all-trans isomer...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114562
PNG
(CHEMBL3608376)
Show SMILES CCCCCC(=O)c1c(O)c(C(CC(C)C)C2=C(O)CC(C)(C)CC2=O)c(O)c(C(CC(C)C)C2=C(O)CC(C)(C)CC2=O)c1O |c:16,35|
Show InChI InChI=1S/C38H56O8/c1-10-11-12-13-24(39)33-35(45)31(22(14-20(2)3)29-25(40)16-37(6,7)17-26(29)41)34(44)32(36(33)46)23(15-21(4)5)30-27(42)18-38(8,9)19-28(30)43/h20-23,40,42,44-46H,10-19H2,1-9H3
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n/an/a 7.30E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in ionophore A23187-stimulated human PMNL using arachidonic acid as substrate assessed as formation of LTB4, 5(S),12(S)-DiHETE, 5-...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114567
PNG
(Myrtucommulone F)
Show SMILES CCCCCC(=O)c1c(O)c([C@@H](C(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c([C@@H](C(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c1O |r,c:15,36|
Show InChI InChI=1S/C40H56O10/c1-14-15-16-17-20(41)23-28(42)24(21(18(2)3)26-31(45)37(6,7)35(49)38(8,9)32(26)46)30(44)25(29(23)43)22(19(4)5)27-33(47)39(10,11)36(50)40(12,13)34(27)48/h18-19,21-22,42-45,47H,14-17H2,1-13H3/t21-,22-/m1/s1
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n/an/a 7.50E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as formation of all-trans isomer...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50114549
PNG
(CHEMBL3608365)
Show SMILES CC(C)[C@H]1C2=C(Oc3c1c(O)cc(O)c3C(=O)C(C)C)C(C)(C)C(=O)C(C)(C)C2=O |r,c:4|
Show InChI InChI=1S/C24H30O6/c1-10(2)14-15-12(25)9-13(26)16(18(27)11(3)4)19(15)30-21-17(14)20(28)23(5,6)22(29)24(21,7)8/h9-11,14,25-26H,1-8H3/t14-/m1/s1
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n/an/a 7.90E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in microsomal membranes isolated from interleukin-1beta-stimulated human A549 cells using PGH2 as substrate assessed as PGE2 fo...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114429
PNG
(CHEMBL3608362)
Show SMILES CC(C)C(C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)cc(O)c(C(=O)C(C)C)c1O |c:4|
Show InChI InChI=1S/C24H32O7/c1-10(2)14(17-20(29)23(5,6)22(31)24(7,8)21(17)30)15-12(25)9-13(26)16(19(15)28)18(27)11(3)4/h9-11,14,25-26,28-29H,1-8H3
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n/an/a 8.10E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in ionophore A23187-stimulated human PMNL using arachidonic acid as substrate assessed as formation of LTB4, 5(S),12(S)-DiHETE, 5-...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114556
PNG
(CHEMBL3608372)
Show SMILES CC(C)C(C1=C(O)CC(C)(C)CC1=O)c1c(O)c(C(C(C)C)C2=C(O)CC(C)(C)CC2=O)c(O)c(C(C)=O)c1O |c:4,23|
Show InChI InChI=1S/C32H44O8/c1-14(2)21(24-17(34)10-31(6,7)11-18(24)35)26-28(38)23(16(5)33)29(39)27(30(26)40)22(15(3)4)25-19(36)12-32(8,9)13-20(25)37/h14-15,21-22,34,36,38-40H,10-13H2,1-9H3
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n/an/a 8.10E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in ionophore A23187-stimulated human PMNL using arachidonic acid as substrate assessed as formation of LTB4, 5(S),12(S)-DiHETE, 5-...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114561
PNG
(CHEMBL3608375)
Show SMILES CC(C)C(C1=C(O)CC(C)(C)CC1=O)c1c(O)c(C(C(C)C)C2=C(O)CC(C)(C)CC2=O)c(O)c(C(=O)c2ccccc2)c1O |c:4,23|
Show InChI InChI=1S/C37H46O8/c1-18(2)25(27-21(38)14-36(5,6)15-22(27)39)29-33(43)30(26(19(3)4)28-23(40)16-37(7,8)17-24(28)41)35(45)31(34(29)44)32(42)20-12-10-9-11-13-20/h9-13,18-19,25-26,38,40,43-45H,14-17H2,1-8H3
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n/an/a 8.60E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as formation of all-trans isomer...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50114553
PNG
(CHEMBL3608369)
Show SMILES CC(C)C1C2=C(Oc3c1c(O)c1C(C(C)C)C4=C(Oc1c3C(=O)C(C)C)C(C)(C)C(=O)C(C)(C)C4=O)C(C)(C)C(=O)C(C)(C)C2=O |c:4,17|
Show InChI InChI=1S/C38H48O8/c1-15(2)18-20-26(40)21-19(16(3)4)23-30(42)36(9,10)34(44)38(13,14)32(23)46-28(21)24(25(39)17(5)6)27(20)45-31-22(18)29(41)35(7,8)33(43)37(31,11)12/h15-19,40H,1-14H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in microsomal membranes isolated from interleukin-1beta-stimulated human A549 cells using PGH2 as substrate assessed as PGE2 fo...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114553
PNG
(CHEMBL3608369)
Show SMILES CC(C)C1C2=C(Oc3c1c(O)c1C(C(C)C)C4=C(Oc1c3C(=O)C(C)C)C(C)(C)C(=O)C(C)(C)C4=O)C(C)(C)C(=O)C(C)(C)C2=O |c:4,17|
Show InChI InChI=1S/C38H48O8/c1-15(2)18-20-26(40)21-19(16(3)4)23-30(42)36(9,10)34(44)38(13,14)32(23)46-28(21)24(25(39)17(5)6)27(20)45-31-22(18)29(41)35(7,8)33(43)37(31,11)12/h15-19,40H,1-14H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in ionophore A23187-stimulated human PMNL using arachidonic acid as substrate assessed as formation of LTB4, 5(S),12(S)-DiHETE, 5-...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114554
PNG
(CHEMBL3608370)
Show SMILES CC(C)C(C1=C(O)CC(C)(C)CC1=O)c1c(O)c(C(C(C)C)C2=C(O)CC(C)(C)CC2=O)c(O)c(C(C(C)C)C2=C(O)CC(C)(C)CC2=O)c1O |c:4,23,41|
Show InChI InChI=1S/C42H60O9/c1-19(2)28(31-22(43)13-40(7,8)14-23(31)44)34-37(49)35(29(20(3)4)32-24(45)15-41(9,10)16-25(32)46)39(51)36(38(34)50)30(21(5)6)33-26(47)17-42(11,12)18-27(33)48/h19-21,28-30,43,45,47,49-51H,13-18H2,1-12H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in ionophore A23187-stimulated human PMNL using arachidonic acid as substrate assessed as formation of LTB4, 5(S),12(S)-DiHETE, 5-...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114424
PNG
(CHEMBL3608358)
Show SMILES CC(C)C(C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)c(C(C(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c(C(=O)c2ccccc2)c1O |c:4,26|
Show InChI InChI=1S/C41H50O10/c1-18(2)21(25-32(46)38(5,6)36(50)39(7,8)33(25)47)23-29(43)24(31(45)27(30(23)44)28(42)20-16-14-13-15-17-20)22(19(3)4)26-34(48)40(9,10)37(51)41(11,12)35(26)49/h13-19,21-22,43-46,48H,1-12H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in ionophore A23187-stimulated human PMNL using arachidonic acid as substrate assessed as formation of LTB4, 5(S),12(S)-DiHETE, 5-...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114560
PNG
(CHEMBL3608374)
Show SMILES CCCCCC(=O)c1c(O)c(C(C(C)C)C2=C(O)CC(C)(C)CC2=O)c(O)c(C(C(C)C)C2=C(O)CC(C)(C)CC2=O)c1O |c:15,33|
Show InChI InChI=1S/C36H52O8/c1-10-11-12-13-20(37)29-32(42)30(25(18(2)3)27-21(38)14-35(6,7)15-22(27)39)34(44)31(33(29)43)26(19(4)5)28-23(40)16-36(8,9)17-24(28)41/h18-19,25-26,38,40,42-44H,10-17H2,1-9H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as formation of all-trans isomer...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114424
PNG
(CHEMBL3608358)
Show SMILES CC(C)C(C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)c(C(C(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c(C(=O)c2ccccc2)c1O |c:4,26|
Show InChI InChI=1S/C41H50O10/c1-18(2)21(25-32(46)38(5,6)36(50)39(7,8)33(25)47)23-29(43)24(31(45)27(30(23)44)28(42)20-16-14-13-15-17-20)22(19(3)4)26-34(48)40(9,10)37(51)41(11,12)35(26)49/h13-19,21-22,43-46,48H,1-12H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as formation of all-trans isomer...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114556
PNG
(CHEMBL3608372)
Show SMILES CC(C)C(C1=C(O)CC(C)(C)CC1=O)c1c(O)c(C(C(C)C)C2=C(O)CC(C)(C)CC2=O)c(O)c(C(C)=O)c1O |c:4,23|
Show InChI InChI=1S/C32H44O8/c1-14(2)21(24-17(34)10-31(6,7)11-18(24)35)26-28(38)23(16(5)33)29(39)27(30(26)40)22(15(3)4)25-19(36)12-32(8,9)13-20(25)37/h14-15,21-22,34,36,38-40H,10-13H2,1-9H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as formation of all-trans isomer...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114551
PNG
(CHEMBL3608367)
Show SMILES CC(C)[C@H](C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)c2[C@@H](C(C)C)C3=C(Oc2c(C(=O)C(C)C)c1O)C(C)(C)C(=O)C(C)(C)C3=O |r,c:4,26|
Show InChI InChI=1S/C38H50O9/c1-15(2)18(22-29(42)35(7,8)33(45)36(9,10)30(22)43)20-26(40)21-19(16(3)4)23-31(44)37(11,12)34(46)38(13,14)32(23)47-28(21)24(27(20)41)25(39)17(5)6/h15-19,40-42H,1-14H3/t18-,19+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as formation of all-trans isomer...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114429
PNG
(CHEMBL3608362)
Show SMILES CC(C)C(C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)cc(O)c(C(=O)C(C)C)c1O |c:4|
Show InChI InChI=1S/C24H32O7/c1-10(2)14(17-20(29)23(5,6)22(31)24(7,8)21(17)30)15-12(25)9-13(26)16(19(15)28)18(27)11(3)4/h9-11,14,25-26,28-29H,1-8H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as formation of all-trans isomer...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114561
PNG
(CHEMBL3608375)
Show SMILES CC(C)C(C1=C(O)CC(C)(C)CC1=O)c1c(O)c(C(C(C)C)C2=C(O)CC(C)(C)CC2=O)c(O)c(C(=O)c2ccccc2)c1O |c:4,23|
Show InChI InChI=1S/C37H46O8/c1-18(2)25(27-21(38)14-36(5,6)15-22(27)39)29-33(43)30(26(19(3)4)28-23(40)16-37(7,8)17-24(28)41)35(45)31(34(29)44)32(42)20-12-10-9-11-13-20/h9-13,18-19,25-26,38,40,43-45H,14-17H2,1-8H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in ionophore A23187-stimulated human PMNL using arachidonic acid as substrate assessed as formation of LTB4, 5(S),12(S)-DiHETE, 5-...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114552
PNG
(CHEMBL3608368)
Show SMILES CCCCCC(=O)c1c(O)c(C(C(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c2C(C(C)C)C3=C(Oc12)C(C)(C)C(=O)C(C)(C)C3=O |c:15,36|
Show InChI InChI=1S/C40H54O9/c1-14-15-16-17-20(41)23-28(42)24(21(18(2)3)26-31(44)37(6,7)35(47)38(8,9)32(26)45)29(43)25-22(19(4)5)27-33(46)39(10,11)36(48)40(12,13)34(27)49-30(23)25/h18-19,21-22,42-44H,14-17H2,1-13H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as formation of all-trans isomer...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114553
PNG
(CHEMBL3608369)
Show SMILES CC(C)C1C2=C(Oc3c1c(O)c1C(C(C)C)C4=C(Oc1c3C(=O)C(C)C)C(C)(C)C(=O)C(C)(C)C4=O)C(C)(C)C(=O)C(C)(C)C2=O |c:4,17|
Show InChI InChI=1S/C38H48O8/c1-15(2)18-20-26(40)21-19(16(3)4)23-30(42)36(9,10)34(44)38(13,14)32(23)46-28(21)24(25(39)17(5)6)27(20)45-31-22(18)29(41)35(7,8)33(43)37(31,11)12/h15-19,40H,1-14H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as formation of all-trans isomer...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114430
PNG
(CHEMBL3608363)
Show SMILES CCCCCC(=O)c1c(O)cc(O)c(C(C(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c1O |c:18|
Show InChI InChI=1S/C26H36O7/c1-8-9-10-11-14(27)18-15(28)12-16(29)19(21(18)30)17(13(2)3)20-22(31)25(4,5)24(33)26(6,7)23(20)32/h12-13,17,28-31H,8-11H2,1-7H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as formation of all-trans isomer...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114557
PNG
(CHEMBL3608373)
Show SMILES CC(C)C(C1=C(O)CC(C)(C)CC1=O)c1c(O)c(C(C(C)C)C2=C(O)CC(C)(C)CC2=O)c(O)c(C(=O)C(C)C)c1O |c:4,23|
Show InChI InChI=1S/C34H48O8/c1-15(2)22(24-18(35)11-33(7,8)12-19(24)36)26-30(40)27(32(42)28(31(26)41)29(39)17(5)6)23(16(3)4)25-20(37)13-34(9,10)14-21(25)38/h15-17,22-23,35,37,40-42H,11-14H2,1-10H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in ionophore A23187-stimulated human PMNL using arachidonic acid as substrate assessed as formation of LTB4, 5(S),12(S)-DiHETE, 5-...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114423
PNG
(MYRTUCOMMULONE A)
Show SMILES CC(C)[C@@H](C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)c([C@@H](C(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c(C(=O)C(C)C)c1O |r,c:4,26|
Show InChI InChI=1S/C38H52O10/c1-15(2)18(22-29(43)35(7,8)33(47)36(9,10)30(22)44)20-26(40)21(28(42)24(27(20)41)25(39)17(5)6)19(16(3)4)23-31(45)37(11,12)34(48)38(13,14)32(23)46/h15-19,40-43,45H,1-14H3/t18-,19-/m1/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as formation of all-trans isomer...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50114423
PNG
(MYRTUCOMMULONE A)
Show SMILES CC(C)[C@@H](C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)c([C@@H](C(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c(C(=O)C(C)C)c1O |r,c:4,26|
Show InChI InChI=1S/C38H52O10/c1-15(2)18(22-29(43)35(7,8)33(47)36(9,10)30(22)44)20-26(40)21(28(42)24(27(20)41)25(39)17(5)6)19(16(3)4)23-31(45)37(11,12)34(48)38(13,14)32(23)46/h15-19,40-43,45H,1-14H3/t18-,19-/m1/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of COX-1 in human platelet using arachidonic acid as substrate assessed as formation of 12-HHT preincubated for 10 mins followed by substr...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114563
PNG
(CHEMBL3608377)
Show SMILES CC(C)C(C1=C(O)c2ccccc2C1=O)c1c(O)c(C(C(C)C)C2=C(O)c3ccccc3C2=O)c(O)c(C(=O)C(C)C)c1O |c:4,25|
Show InChI InChI=1S/C36H36O8/c1-15(2)22(24-30(38)18-11-7-8-12-19(18)31(24)39)26-34(42)27(36(44)28(35(26)43)29(37)17(5)6)23(16(3)4)25-32(40)20-13-9-10-14-21(20)33(25)41/h7-17,22-23,38,40,42-44H,1-6H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as formation of all-trans isomer...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50114557
PNG
(CHEMBL3608373)
Show SMILES CC(C)C(C1=C(O)CC(C)(C)CC1=O)c1c(O)c(C(C(C)C)C2=C(O)CC(C)(C)CC2=O)c(O)c(C(=O)C(C)C)c1O |c:4,23|
Show InChI InChI=1S/C34H48O8/c1-15(2)22(24-18(35)11-33(7,8)12-19(24)36)26-30(40)27(32(42)28(31(26)41)29(39)17(5)6)23(16(3)4)25-20(37)13-34(9,10)14-21(25)38/h15-17,22-23,35,37,40-42H,11-14H2,1-10H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as formation of all-trans isomer...


Eur J Med Chem 101: 133-49 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.001
BindingDB Entry DOI: 10.7270/Q2DB83P1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%