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Compile Data Set for Download or QSAR

Found 704 hits Enz. Inhib. hit(s) with Target = 'Arachidonate 15-lipoxygenase'   
Target
(Institution)
LigandTarget
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 15-lipoxygenase


(Homo sapiens (Human))
BDBM50109578
PNG
(CHEMBL3604156)
Show SMILES Fc1ccc(NC(=O)c2n[nH]c(Cl)c2Br)c(Cl)c1
Show InChI InChI=1S/C10H5BrCl2FN3O/c11-7-8(16-17-9(7)13)10(18)15-6-2-1-4(14)3-5(6)12/h1-3H,(H,15,18)(H,16,17)
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n/an/a 1n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of human 15-LOX-1 expressed in Sf9 cells assessed as reduction in conversion of arachidonic acid to 15-HETE pre-incubated 5 min before ara...


Bioorg Med Chem Lett 25: 3024-9 (2015)

More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347329
PNG
(CHEMBL1796851)
Show SMILES CCN([C@@H]1CCN(C1)C(C)c1ccc(F)cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1
Show InChI InChI=1S/C27H32FN7O2S2/c1-3-35(22-11-15-34(18-22)19(2)20-6-8-21(28)9-7-20)39(36,37)31-12-10-23-26(24-17-29-13-14-30-24)32-33-27(23)25-5-4-16-38-25/h4-9,13-14,16-17,19,22,31H,3,10-12,15,18H2,1-2H3,(H,32,33)/t19?,22-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347323
PNG
(CHEMBL1796845)
Show SMILES COc1cccc(c1)-c1n[nH]c(c1CCNS(=O)(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)-c1cccs1
Show InChI InChI=1S/C28H33N5O3S2/c1-32(23-14-16-33(20-23)19-21-8-4-3-5-9-21)38(34,35)29-15-13-25-27(22-10-6-11-24(18-22)36-2)30-31-28(25)26-12-7-17-37-26/h3-12,17-18,23,29H,13-16,19-20H2,1-2H3,(H,30,31)/t23-/m1/s1
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347327
PNG
(CHEMBL1796849)
Show SMILES CCN([C@@H]1CCN(C1)[C@@H](C)c1ccccc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1
Show InChI InChI=1S/C27H33N7O2S2/c1-3-34(22-12-16-33(19-22)20(2)21-8-5-4-6-9-21)38(35,36)30-13-11-23-26(24-18-28-14-15-29-24)31-32-27(23)25-10-7-17-37-25/h4-10,14-15,17-18,20,22,30H,3,11-13,16,19H2,1-2H3,(H,31,32)/t20-,22+/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50109729
PNG
(CHEMBL3604185)
Show SMILES Clc1[nH]nc(c1Cl)-c1nc2ccc(Cl)cc2o1
Show InChI InChI=1S/C10H4Cl3N3O/c11-4-1-2-5-6(3-4)17-10(14-5)8-7(12)9(13)16-15-8/h1-3H,(H,15,16)
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Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of human 15-LOX-1 expressed in Sf9 cells assessed as reduction in conversion of arachidonic acid to 15-HETE pre-incubated 5 min before ara...


Bioorg Med Chem Lett 25: 3024-9 (2015)

More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347324
PNG
(CHEMBL1796846)
Show SMILES CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cccs1
Show InChI InChI=1S/C25H29N5O2S3/c1-29(20-12-14-30(18-20)17-19-7-3-2-4-8-19)35(31,32)26-13-11-21-24(22-9-5-15-33-22)27-28-25(21)23-10-6-16-34-23/h2-10,15-16,20,26H,11-14,17-18H2,1H3,(H,27,28)/t20-/m1/s1
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347327
PNG
(CHEMBL1796849)
Show SMILES CCN([C@@H]1CCN(C1)[C@@H](C)c1ccccc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1
Show InChI InChI=1S/C27H33N7O2S2/c1-3-34(22-12-16-33(19-22)20(2)21-8-5-4-6-9-21)38(35,36)30-13-11-23-26(24-18-28-14-15-29-24)31-32-27(23)25-10-7-17-37-25/h4-10,14-15,17-18,20,22,30H,3,11-13,16,19H2,1-2H3,(H,31,32)/t20-,22+/m0/s1
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using arachidonic acid by standard colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347328
PNG
(CHEMBL1796850)
Show SMILES CCN([C@@H]1CCN(C1)C(C)(C)c1ccccc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1
Show InChI InChI=1S/C28H35N7O2S2/c1-4-35(22-13-17-34(20-22)28(2,3)21-9-6-5-7-10-21)39(36,37)31-14-12-23-26(24-19-29-15-16-30-24)32-33-27(23)25-11-8-18-38-25/h5-11,15-16,18-19,22,31H,4,12-14,17,20H2,1-3H3,(H,32,33)/t22-/m1/s1
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM22266
PNG
(2,4,5-tri-substituted imidazole, 21n | {ethyl[(3R)...)
Show SMILES CCN([C@@H]1CCN(C1)C(C)c1ccc(F)cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1cccs1
Show InChI InChI=1S/C30H36FN5O3S2/c1-4-36(25-16-18-35(20-25)21(2)22-7-11-24(31)12-8-22)41(37,38)32-17-15-27-29(23-9-13-26(39-3)14-10-23)34-30(33-27)28-6-5-19-40-28/h5-14,19,21,25,32H,4,15-18,20H2,1-3H3,(H,33,34)/t21?,25-/m1/s1
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Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347325
PNG
(CHEMBL1796847)
Show SMILES CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1
Show InChI InChI=1S/C25H29N7O2S2/c1-31(20-10-14-32(18-20)17-19-6-3-2-4-7-19)36(33,34)28-11-9-21-24(22-16-26-12-13-27-22)29-30-25(21)23-8-5-15-35-23/h2-8,12-13,15-16,20,28H,9-11,14,17-18H2,1H3,(H,29,30)/t20-/m1/s1
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347329
PNG
(CHEMBL1796851)
Show SMILES CCN([C@@H]1CCN(C1)C(C)c1ccc(F)cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1
Show InChI InChI=1S/C27H32FN7O2S2/c1-3-35(22-11-15-34(18-22)19(2)20-6-8-21(28)9-7-20)39(36,37)31-12-10-23-26(24-17-29-13-14-30-24)32-33-27(23)25-5-4-16-38-25/h4-9,13-14,16-17,19,22,31H,3,10-12,15,18H2,1-2H3,(H,32,33)/t19?,22-/m1/s1
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using arachidonic acid by standard colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347322
PNG
(CHEMBL1796844)
Show SMILES CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1ccccc1
Show InChI InChI=1S/C27H31N5O2S2/c1-31(23-15-17-32(20-23)19-21-9-4-2-5-10-21)36(33,34)28-16-14-24-26(22-11-6-3-7-12-22)29-30-27(24)25-13-8-18-35-25/h2-13,18,23,28H,14-17,19-20H2,1H3,(H,29,30)/t23-/m1/s1
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n/an/a 3.60n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347318
PNG
(CHEMBL1796840)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cccs1
Show InChI InChI=1S/C24H27N3O2S3/c1-2-3-4-7-18-10-12-19(13-11-18)32(28,29)25-15-14-20-23(21-8-5-16-30-21)26-27-24(20)22-9-6-17-31-22/h5-6,8-13,16-17,25H,2-4,7,14-15H2,1H3,(H,26,27)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50109751
PNG
(CHEMBL3604184)
Show SMILES Clc1cc(n[nH]1)-c1nc2ccc(Cl)cc2o1
Show InChI InChI=1S/C10H5Cl2N3O/c11-5-1-2-6-8(3-5)16-10(13-6)7-4-9(12)15-14-7/h1-4H,(H,14,15)
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n/an/a 4n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of human 15-LOX-1 expressed in Sf9 cells assessed as reduction in conversion of arachidonic acid to 15-HETE pre-incubated 5 min before ara...


Bioorg Med Chem Lett 25: 3024-9 (2015)

More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347328
PNG
(CHEMBL1796850)
Show SMILES CCN([C@@H]1CCN(C1)C(C)(C)c1ccccc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1
Show InChI InChI=1S/C28H35N7O2S2/c1-4-35(22-13-17-34(20-22)28(2,3)21-9-6-5-7-10-21)39(36,37)31-14-12-23-26(24-19-29-15-16-30-24)32-33-27(23)25-11-8-18-38-25/h5-11,15-16,18-19,22,31H,4,12-14,17,20H2,1-3H3,(H,32,33)/t22-/m1/s1
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using arachidonic acid by standard colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347330
PNG
(CHEMBL1795361)
Show SMILES CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cc(C)on1
Show InChI InChI=1S/C25H30N6O3S2/c1-18-15-22(29-34-18)24-21(25(28-27-24)23-9-6-14-35-23)10-12-26-36(32,33)30(2)20-11-13-31(17-20)16-19-7-4-3-5-8-19/h3-9,14-15,20,26H,10-13,16-17H2,1-2H3,(H,27,28)/t20-/m1/s1
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347323
PNG
(CHEMBL1796845)
Show SMILES COc1cccc(c1)-c1n[nH]c(c1CCNS(=O)(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)-c1cccs1
Show InChI InChI=1S/C28H33N5O3S2/c1-32(23-14-16-33(20-23)19-21-8-4-3-5-9-21)38(34,35)29-15-13-25-27(22-10-6-11-24(18-22)36-2)30-31-28(25)26-12-7-17-37-26/h3-12,17-18,23,29H,13-16,19-20H2,1-2H3,(H,30,31)/t23-/m1/s1
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using arachidonic acid by standard colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347326
PNG
(CHEMBL1796848)
Show SMILES CCN([C@@H]1CCN(C1)[C@H](C)c1ccccc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1
Show InChI InChI=1S/C27H33N7O2S2/c1-3-34(22-12-16-33(19-22)20(2)21-8-5-4-6-9-21)38(35,36)30-13-11-23-26(24-18-28-14-15-29-24)31-32-27(23)25-10-7-17-37-25/h4-10,14-15,17-18,20,22,30H,3,11-13,16,19H2,1-2H3,(H,31,32)/t20-,22-/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM22302
PNG
(N-{2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl}-4...)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cc2ccccc2o1
Show InChI InChI=1S/C29H30N2O3S/c1-2-3-4-9-21-14-16-23(17-15-21)35(32,33)30-19-18-25-24-11-6-7-12-26(24)31-29(25)28-20-22-10-5-8-13-27(22)34-28/h5-8,10-17,20,30-31H,2-4,9,18-19H2,1H3
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM22249
PNG
(2,4,5-tri-substituted imidazole, 14n | N-{2-[5-(4-...)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1cccs1
Show InChI InChI=1S/C27H31N3O3S2/c1-3-4-5-7-20-9-15-23(16-10-20)35(31,32)28-18-17-24-26(21-11-13-22(33-2)14-12-21)30-27(29-24)25-8-6-19-34-25/h6,8-16,19,28H,3-5,7,17-18H2,1-2H3,(H,29,30)
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347324
PNG
(CHEMBL1796846)
Show SMILES CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cccs1
Show InChI InChI=1S/C25H29N5O2S3/c1-29(20-12-14-30(18-20)17-19-7-3-2-4-8-19)35(31,32)26-13-11-21-24(22-9-5-15-33-22)27-28-25(21)23-10-6-16-34-23/h2-10,15-16,20,26H,11-14,17-18H2,1H3,(H,27,28)/t20-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using arachidonic acid by standard colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347325
PNG
(CHEMBL1796847)
Show SMILES CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1
Show InChI InChI=1S/C25H29N7O2S2/c1-31(20-10-14-32(18-20)17-19-6-3-2-4-7-19)36(33,34)28-11-9-21-24(22-16-26-12-13-27-22)29-30-25(21)23-8-5-15-35-23/h2-8,12-13,15-16,20,28H,9-11,14,17-18H2,1H3,(H,29,30)/t20-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using arachidonic acid by standard colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347322
PNG
(CHEMBL1796844)
Show SMILES CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1ccccc1
Show InChI InChI=1S/C27H31N5O2S2/c1-31(23-15-17-32(20-23)19-21-9-4-2-5-10-21)36(33,34)28-16-14-24-26(22-11-6-3-7-12-22)29-30-27(24)25-13-8-18-35-25/h2-13,18,23,28H,14-17,19-20H2,1H3,(H,29,30)/t23-/m1/s1
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n/an/a 7.5n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using arachidonic acid by standard colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM22304
PNG
(N-{3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propyl}-...)
Show SMILES O=S(=O)(NCCCc1c([nH]c2ccccc12)-c1cc2ccccc2o1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H26N2O3S/c34-37(35,25-18-16-23(17-19-25)22-9-2-1-3-10-22)32-20-8-13-27-26-12-5-6-14-28(26)33-31(27)30-21-24-11-4-7-15-29(24)36-30/h1-7,9-12,14-19,21,32-33H,8,13,20H2
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347326
PNG
(CHEMBL1796848)
Show SMILES CCN([C@@H]1CCN(C1)[C@H](C)c1ccccc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1
Show InChI InChI=1S/C27H33N7O2S2/c1-3-34(22-12-16-33(19-22)20(2)21-8-5-4-6-9-21)38(35,36)30-13-11-23-26(24-18-28-14-15-29-24)31-32-27(23)25-10-7-17-37-25/h4-10,14-15,17-18,20,22,30H,3,11-13,16,19H2,1-2H3,(H,31,32)/t20-,22-/m1/s1
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n/an/a 8.20n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using arachidonic acid by standard colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347319
PNG
(CHEMBL1796841)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cccc(OC)c1
Show InChI InChI=1S/C27H31N3O3S2/c1-3-4-5-8-20-12-14-23(15-13-20)35(31,32)28-17-16-24-26(21-9-6-10-22(19-21)33-2)29-30-27(24)25-11-7-18-34-25/h6-7,9-15,18-19,28H,3-5,8,16-17H2,1-2H3,(H,29,30)
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50109578
PNG
(CHEMBL3604156)
Show SMILES Fc1ccc(NC(=O)c2n[nH]c(Cl)c2Br)c(Cl)c1
Show InChI InChI=1S/C10H5BrCl2FN3O/c11-7-8(16-17-9(7)13)10(18)15-6-2-1-4(14)3-5(6)12/h1-3H,(H,15,18)(H,16,17)
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n/an/a 10n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of 15-LOX-1 in human L1236 cells assessed as reduction in conversion of arachidonic acid to 15-HETE pre-incubated 5 min before arachidonic...


Bioorg Med Chem Lett 25: 3024-9 (2015)

More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50329324
PNG
(4-(5-(Naphthalen-1-yl)-1,3,4-oxadiazol-2-ylthio)bu...)
Show SMILES Fc1cccc(c1)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
Show InChI InChI=1S/C23H15FN2O3S/c24-18-10-5-9-17(15-18)22(27)28-13-3-4-14-30-23-26-25-21(29-23)20-12-6-8-16-7-1-2-11-19(16)20/h1-2,5-12,15H,13-14H2
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n/an/a<10n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged reticulocyte 15-lipoxygenase-1 after 15 mins by UV-vis spectrophotometer analysis


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50329327
PNG
(4-(5-(Naphthalen-1-yl)-1,3,4-oxadiazol-2-ylthio)bu...)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
Show InChI InChI=1S/C24H15F3N2O3S/c25-24(26,27)18-12-10-17(11-13-18)22(30)31-14-3-4-15-33-23-29-28-21(32-23)20-9-5-7-16-6-1-2-8-19(16)20/h1-2,5-13H,14-15H2
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n/an/a<10n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged reticulocyte 15-lipoxygenase-1 after 15 mins by UV-vis spectrophotometer analysis


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50329325
PNG
(4-(5-(Naphthalen-1-yl)-1,3,4-oxadiazol-2-ylthio)bu...)
Show SMILES Fc1ccc(cc1F)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
Show InChI InChI=1S/C23H14F2N2O3S/c24-19-11-10-16(14-20(19)25)22(28)29-12-3-4-13-31-23-27-26-21(30-23)18-9-5-7-15-6-1-2-8-17(15)18/h1-2,5-11,14H,12-13H2
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n/an/a<10n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged reticulocyte 15-lipoxygenase-1 after 15 mins by UV-vis spectrophotometer analysis


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50329321
PNG
(4-(5-(Naphthalen-1-yl)-1,3,4-oxadiazol-2-ylthio)bu...)
Show SMILES O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1ccsc1
Show InChI InChI=1S/C21H14N2O3S2/c24-20(16-10-13-27-14-16)25-11-3-4-12-28-21-23-22-19(26-21)18-9-5-7-15-6-1-2-8-17(15)18/h1-2,5-10,13-14H,11-12H2
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n/an/a<10n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged reticulocyte 15-lipoxygenase-1 after 15 mins by UV-vis spectrophotometer analysis


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50329328
PNG
(4-(5-(naphthalen-2-yl)-1,3,4-oxadiazol-2-ylthio)bu...)
Show SMILES Fc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C23H15FN2O3S/c24-20-11-9-17(10-12-20)22(27)28-13-3-4-14-30-23-26-25-21(29-23)19-8-7-16-5-1-2-6-18(16)15-19/h1-2,5-12,15H,13-14H2
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n/an/a<10n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged reticulocyte 15-lipoxygenase-1 after 15 mins by UV-vis spectrophotometer analysis


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347320
PNG
(CHEMBL1796842)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cc(C)on1
Show InChI InChI=1S/C24H28N4O3S2/c1-3-4-5-7-18-9-11-19(12-10-18)33(29,30)25-14-13-20-23(21-16-17(2)31-28-21)26-27-24(20)22-8-6-15-32-22/h6,8-12,15-16,25H,3-5,7,13-14H2,1-2H3,(H,26,27)
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50329326
PNG
(4-(5-(Naphthalen-1-yl)-1,3,4-oxadiazol-2-ylthio)bu...)
Show SMILES FC(F)(F)Oc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
Show InChI InChI=1S/C24H15F3N2O4S/c25-24(26,27)33-18-12-10-17(11-13-18)22(30)31-14-3-4-15-34-23-29-28-21(32-23)20-9-5-7-16-6-1-2-8-19(16)20/h1-2,5-13H,14-15H2
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n/an/a<10n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged reticulocyte 15-lipoxygenase-1 after 15 mins by UV-vis spectrophotometer analysis


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM22265
PNG
(2,4,5-tri-substituted imidazole, 21m | {ethyl[(3R)...)
Show SMILES CCN([C@@H]1CCN(C1)C(C)(C)c1ccccc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1cccs1
Show InChI InChI=1S/C31H39N5O3S2/c1-5-36(25-18-20-35(22-25)31(2,3)24-10-7-6-8-11-24)41(37,38)32-19-17-27-29(23-13-15-26(39-4)16-14-23)34-30(33-27)28-12-9-21-40-28/h6-16,21,25,32H,5,17-20,22H2,1-4H3,(H,33,34)/t25-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM22305
PNG
(N-[2-(2-dibenzo[b,d]furan-2-yl-1H-indol-3-yl)ethyl...)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C33H32N2O3S/c1-2-3-4-9-23-14-17-25(18-15-23)39(36,37)34-21-20-28-26-10-5-7-12-30(26)35-33(28)24-16-19-32-29(22-24)27-11-6-8-13-31(27)38-32/h5-8,10-19,22,34-35H,2-4,9,20-21H2,1H3
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM22308
PNG
(N-{2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl}-4...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cc2ccccc2o1
Show InChI InChI=1S/C25H22N2O3S/c1-17-10-12-19(13-11-17)31(28,29)26-15-14-21-20-7-3-4-8-22(20)27-25(21)24-16-18-6-2-5-9-23(18)30-24/h2-13,16,26-27H,14-15H2,1H3
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM22303
PNG
(N-{3-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]propyl}-...)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCCc1c([nH]c2ccccc12)-c1cc2ccccc2o1
Show InChI InChI=1S/C30H32N2O3S/c1-2-3-4-10-22-16-18-24(19-17-22)36(33,34)31-20-9-13-26-25-12-6-7-14-27(25)32-30(26)29-21-23-11-5-8-15-28(23)35-29/h5-8,11-12,14-19,21,31-32H,2-4,9-10,13,20H2,1H3
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Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50329329
PNG
(4-(5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-ylthio)but...)
Show SMILES Fc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H12ClFN2O3S/c20-15-7-3-13(4-8-15)17-22-23-19(26-17)27-12-2-1-11-25-18(24)14-5-9-16(21)10-6-14/h3-10H,11-12H2
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n/an/a<10n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged reticulocyte 15-lipoxygenase-1 after 15 mins by UV-vis spectrophotometer analysis


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM22264
PNG
(2,4,5-tri-substituted imidazole, 21l | {[(3R)-1-(3...)
Show SMILES COc1ccc(cc1)-c1nc([nH]c1CCNS(=O)(=O)N(C)[C@@H]1CCN(C1)c1ccc(Cl)c(Cl)c1)-c1cccs1
Show InChI InChI=1S/C27H29Cl2N5O3S2/c1-33(20-12-14-34(17-20)19-7-10-22(28)23(29)16-19)39(35,36)30-13-11-24-26(18-5-8-21(37-2)9-6-18)32-27(31-24)25-4-3-15-38-25/h3-10,15-16,20,30H,11-14,17H2,1-2H3,(H,31,32)/t20-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM22312
PNG
(4-({2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl}s...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)S(=O)(=O)NCCc2c([nH]c3ccccc23)-c2cc3ccccc3o2)cc1
Show InChI InChI=1S/C32H27N3O5S/c1-39-24-14-12-23(13-15-24)34-32(36)21-10-16-25(17-11-21)41(37,38)33-19-18-27-26-7-3-4-8-28(26)35-31(27)30-20-22-6-2-5-9-29(22)40-30/h2-17,20,33,35H,18-19H2,1H3,(H,34,36)
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347317
PNG
(CHEMBL1796839)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1ccccc1
Show InChI InChI=1S/C26H29N3O2S2/c1-2-3-5-9-20-13-15-22(16-14-20)33(30,31)27-18-17-23-25(21-10-6-4-7-11-21)28-29-26(23)24-12-8-19-32-24/h4,6-8,10-16,19,27H,2-3,5,9,17-18H2,1H3,(H,28,29)
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM22300
PNG
(4-pentyl-N-(2-{2-[4-(trifluoromethyl)phenyl]-1H-in...)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H29F3N2O2S/c1-2-3-4-7-20-10-16-23(17-11-20)36(34,35)32-19-18-25-24-8-5-6-9-26(24)33-27(25)21-12-14-22(15-13-21)28(29,30)31/h5-6,8-17,32-33H,2-4,7,18-19H2,1H3
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Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM22299
PNG
(4-pentyl-N-{2-[2-(4-propanoylphenyl)-1H-indol-3-yl...)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1ccc(cc1)C(=O)CC
Show InChI InChI=1S/C30H34N2O3S/c1-3-5-6-9-22-12-18-25(19-13-22)36(34,35)31-21-20-27-26-10-7-8-11-28(26)32-30(27)24-16-14-23(15-17-24)29(33)4-2/h7-8,10-19,31-32H,3-6,9,20-21H2,1-2H3
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347321
PNG
(CHEMBL1796843)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1
Show InChI InChI=1S/C24H27N5O2S2/c1-2-3-4-6-18-8-10-19(11-9-18)33(30,31)27-13-12-20-23(21-17-25-14-15-26-21)28-29-24(20)22-7-5-16-32-22/h5,7-11,14-17,27H,2-4,6,12-13H2,1H3,(H,28,29)
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM22314
PNG
(4-({2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl}s...)
Show SMILES O=C(NC1CCCCC1)c1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cc2ccccc2o1
Show InChI InChI=1S/C31H31N3O4S/c35-31(33-23-9-2-1-3-10-23)21-14-16-24(17-15-21)39(36,37)32-19-18-26-25-11-5-6-12-27(25)34-30(26)29-20-22-8-4-7-13-28(22)38-29/h4-8,11-17,20,23,32,34H,1-3,9-10,18-19H2,(H,33,35)
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Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50020589
PNG
(CHEMBL3290441)
Show SMILES COc1cc(\C=C\c2cc(\C=C\c3cc(CC=C(C)C)c(O)c(OC)c3)[nH]n2)cc(CC=C(C)C)c1O
Show InChI InChI=1S/C31H36N2O4/c1-20(2)7-11-24-15-22(17-28(36-5)30(24)34)9-13-26-19-27(33-32-26)14-10-23-16-25(12-8-21(3)4)31(35)29(18-23)37-6/h7-10,13-19,34-35H,11-12H2,1-6H3,(H,32,33)/b13-9+,14-10+
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n/an/a 13n/an/an/an/an/an/a



University Jena

Curated by ChEMBL


Assay Description
Inhibition of 15-LO-mediated 15-HETE formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition ...


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM22306
PNG
(4-pentyl-N-{2-[2-(quinolin-3-yl)-1H-indol-3-yl]eth...)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H31N3O2S/c1-2-3-4-9-22-14-16-25(17-15-22)36(34,35)32-19-18-27-26-11-6-8-13-29(26)33-30(27)24-20-23-10-5-7-12-28(23)31-21-24/h5-8,10-17,20-21,32-33H,2-4,9,18-19H2,1H3
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n/an/a 13n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50109746
PNG
(CHEMBL3604180)
Show SMILES Clc1ccc2nc(oc2c1)-c1cc[nH]n1
Show InChI InChI=1S/C10H6ClN3O/c11-6-1-2-7-9(5-6)15-10(13-7)8-3-4-12-14-8/h1-5H,(H,12,14)
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n/an/a 13n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of 15-LOX-1 in human L1236 cells assessed as reduction in conversion of arachidonic acid to 15-HETE pre-incubated 5 min before arachidonic...


Bioorg Med Chem Lett 25: 3024-9 (2015)

More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50109814
PNG
(CHEMBL3604153)
Show SMILES Fc1ccc(NC(=O)c2n[nH]c(Cl)c2Cl)c(Cl)c1
Show InChI InChI=1S/C10H5Cl3FN3O/c11-5-3-4(14)1-2-6(5)15-10(18)8-7(12)9(13)17-16-8/h1-3H,(H,15,18)(H,16,17)
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n/an/a 14n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of 15-LOX-1 in human L1236 cells assessed as reduction in conversion of arachidonic acid to 15-HETE pre-incubated 5 min before arachidonic...


Bioorg Med Chem Lett 25: 3024-9 (2015)

More data for this
Ligand-Target Pair
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