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Compile Data Set for Download or QSAR

Found 612 hits Enz. Inhib. hit(s) with Target = 'Arachidonate 15-lipoxygenase' AND taxid = 9606   
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))
BDBM50123745
PNG
(CHEMBL3622746)
Show SMILES CCN([C@H]1CCN(C1)C(C)c1ccc(F)cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cnccn1)-c1cccs1
Show InChI InChI=1/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-/s2
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1n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competitive inhibition of human 15-LOX1 using linoleic acid as substrate after 10 mins by Lineweaver-Burk plot analysis


J Med Chem 58: 7850-62 (2015)

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


(Homo sapiens (Human))
BDBM50026089
PNG
(CHEMBL1270505)
Show SMILES O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)C1CCCC1
Show InChI InChI=1S/C22H20N2O3S/c25-21(17-9-1-2-10-17)26-14-5-6-15-28-22-24-23-20(27-22)19-13-7-11-16-8-3-4-12-18(16)19/h3-4,7-8,11-13,17H,1-2,9-10,14-15H2
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<10n/an/an/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))
BDBM50026082
PNG
(CHEMBL1270912)
Show SMILES O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1csc2ccccc12
Show InChI InChI=1S/C25H16N2O3S2/c28-24(21-16-32-22-13-4-3-11-19(21)22)29-14-5-6-15-31-25-27-26-23(30-25)20-12-7-9-17-8-1-2-10-18(17)20/h1-4,7-13,16H,14-15H2
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<10n/an/an/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))
BDBM50026087
PNG
(CHEMBL1270218)
Show SMILES Clc1sc(C(=O)OCC#CCSc2nnc(o2)-c2cccc3ccccc23)c(Cl)c1Cl
Show InChI InChI=1S/C21H11Cl3N2O3S2/c22-15-16(23)18(24)31-17(15)20(27)28-10-3-4-11-30-21-26-25-19(29-21)14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9H,10-11H2
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<10n/an/an/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))
BDBM50329323
PNG
(4-(5-(Naphthalen-1-yl)-1,3,4-oxadiazol-2-ylthio)bu...)
Show SMILES O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C23H16N2O3S/c26-22(18-10-2-1-3-11-18)27-15-6-7-16-29-23-25-24-21(28-23)20-14-8-12-17-9-4-5-13-19(17)20/h1-5,8-14H,15-16H2
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<10n/an/an/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))
BDBM50026174
PNG
(CHEMBL1271117)
Show SMILES Fc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
Show InChI InChI=1S/C23H15FN2O3S/c24-18-12-10-17(11-13-18)22(27)28-14-3-4-15-30-23-26-25-21(29-23)20-9-5-7-16-6-1-2-8-19(16)20/h1-2,5-13H,14-15H2
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10n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competitive inhibition of human 15-LOX1 using linoleic acid as substrate after 10 mins by Lineweaver-Burk plot analysis


J Med Chem 58: 7850-62 (2015)

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


(Homo sapiens (Human))
BDBM50329322
PNG
(4-(5-(Naphthalen-1-yl)-1,3,4-oxadiazol-2-ylthio)bu...)
Show SMILES O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1cc2ccccc2s1
Show InChI InChI=1S/C25H16N2O3S2/c28-24(22-16-18-9-2-4-13-21(18)32-22)29-14-5-6-15-31-25-27-26-23(30-25)20-12-7-10-17-8-1-3-11-19(17)20/h1-4,7-13,16H,14-15H2
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<10n/an/an/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))
BDBM50026088
PNG
(CHEMBL1271322)
Show SMILES Clc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
Show InChI InChI=1S/C23H15ClN2O3S/c24-18-12-10-17(11-13-18)22(27)28-14-3-4-15-30-23-26-25-21(29-23)20-9-5-7-16-6-1-2-8-19(16)20/h1-2,5-13H,14-15H2
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<10n/an/an/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))
BDBM50026086
PNG
(CHEMBL1270606)
Show SMILES Fc1ncccc1C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
Show InChI InChI=1S/C22H14FN3O3S/c23-19-18(11-6-12-24-19)21(27)28-13-3-4-14-30-22-26-25-20(29-22)17-10-5-8-15-7-1-2-9-16(15)17/h1-2,5-12H,13-14H2
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<10n/an/an/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))
BDBM50026080
PNG
(CHEMBL1270311)
Show SMILES Clc1ccsc1C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
Show InChI InChI=1S/C21H13ClN2O3S2/c22-17-10-13-28-18(17)20(25)26-11-3-4-12-29-21-24-23-19(27-21)16-9-5-7-14-6-1-2-8-15(14)16/h1-2,5-10,13H,11-12H2
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<10n/an/an/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))
BDBM50026079
PNG
(CHEMBL1270507)
Show SMILES Fc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H12F2N2O3S/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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<10n/an/an/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))
BDBM50026083
PNG
(CHEMBL1270004)
Show SMILES FC(F)(F)Sc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
Show InChI InChI=1S/C24H15F3N2O3S2/c25-24(26,27)34-18-12-10-17(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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<10n/an/an/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))
BDBM50026078
PNG
(CHEMBL1271219)
Show SMILES Fc1ccc(C(=O)OCC#CCSc2nnc(o2)-c2cccc3ccccc23)c(F)c1
Show InChI InChI=1S/C23H14F2N2O3S/c24-16-10-11-19(20(25)14-16)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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<10n/an/an/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))
BDBM50026174
PNG
(CHEMBL1271117)
Show SMILES Fc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
Show InChI InChI=1S/C23H15FN2O3S/c24-18-12-10-17(11-13-18)22(27)28-14-3-4-15-30-23-26-25-21(29-23)20-9-5-7-16-6-1-2-8-19(16)20/h1-2,5-13H,14-15H2
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<10n/an/an/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))
BDBM50026084
PNG
(CHEMBL1271012)
Show SMILES Fc1ccccc1C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
Show InChI InChI=1S/C23H15FN2O3S/c24-20-13-4-3-11-19(20)22(27)28-14-5-6-15-30-23-26-25-21(29-23)18-12-7-9-16-8-1-2-10-17(16)18/h1-4,7-13H,14-15H2
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<10n/an/an/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))
BDBM50026170
PNG
(CHEMBL1271429)
Show SMILES Brc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
Show InChI InChI=1S/C23H15BrN2O3S/c24-18-12-10-17(11-13-18)22(27)28-14-3-4-15-30-23-26-25-21(29-23)20-9-5-7-16-6-1-2-8-19(16)20/h1-2,5-13H,14-15H2
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<10n/an/an/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))
BDBM50026091
PNG
(CHEMBL1270506)
Show SMILES Fc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1cccc(F)c1
Show InChI InChI=1S/C19H12F2N2O3S/c20-15-8-6-13(7-9-15)18(24)25-10-1-2-11-27-19-23-22-17(26-19)14-4-3-5-16(21)12-14/h3-9,12H,10-11H2
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<10n/an/an/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))
BDBM50026085
PNG
(CHEMBL1269896)
Show SMILES COc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
Show InChI InChI=1S/C24H18N2O4S/c1-28-19-13-11-18(12-14-19)23(27)29-15-4-5-16-31-24-26-25-22(30-24)21-10-6-8-17-7-2-3-9-20(17)21/h2-3,6-14H,15-16H2,1H3
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<10n/an/an/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))
BDBM50026081
PNG
(CHEMBL1270112)
Show SMILES FC(F)Oc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
Show InChI InChI=1S/C24H16F2N2O4S/c25-23(26)31-18-12-10-17(11-13-18)22(29)30-14-3-4-15-33-24-28-27-21(32-24)20-9-5-7-16-6-1-2-8-19(16)20/h1-2,5-13,23H,14-15H2
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<10n/an/an/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))
BDBM50417172
PNG
(CHEMBL1269897)
Show SMILES CN(C)c1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
Show InChI InChI=1S/C25H21N3O3S/c1-28(2)20-14-12-19(13-15-20)24(29)30-16-5-6-17-32-25-27-26-23(31-25)22-11-7-9-18-8-3-4-10-21(18)22/h3-4,7-15H,16-17H2,1-2H3
PDB

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15n/an/an/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 catalytic site assessed as 15-HPETE formation by Michaelis-Menten equation ...


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


(Homo sapiens (Human))
BDBM50417174
PNG
(CHEMBL1270705)
Show SMILES O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1cc2ccccc2o1
Show InChI InChI=1S/C25H16N2O4S/c28-24(22-16-18-9-2-4-13-21(18)30-22)29-14-5-6-15-32-25-27-26-23(31-25)20-12-7-10-17-8-1-3-11-19(17)20/h1-4,7-13,16H,14-15H2
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15n/an/an/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 catalytic site assessed as 15-HPETE formation by Michaelis-Menten equation ...


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


(Homo sapiens (Human))
BDBM50417175
PNG
(CHEMBL1271321)
Show SMILES Fc1cc(cc(F)c1F)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
Show InChI InChI=1S/C23H13F3N2O3S/c24-18-12-15(13-19(25)20(18)26)22(29)30-10-3-4-11-32-23-28-27-21(31-23)17-9-5-7-14-6-1-2-8-16(14)17/h1-2,5-9,12-13H,10-11H2
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16n/an/an/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 catalytic site assessed as 15-HPETE formation by Michaelis-Menten equation ...


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


(Homo sapiens (Human))
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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21n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competitive inhibition of human 15-LOX1 using linoleic acid as substrate after 10 mins by Lineweaver-Burk plot analysis


J Med Chem 58: 7850-62 (2015)

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


(Homo sapiens (Human))
BDBM50417153
PNG
(CHEMBL1270704)
Show SMILES O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H18N2O3S/c30-26(22-15-14-19-8-1-2-10-21(19)18-22)31-16-5-6-17-33-27-29-28-25(32-27)24-13-7-11-20-9-3-4-12-23(20)24/h1-4,7-15,18H,16-17H2
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22n/an/an/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 catalytic site assessed as 15-HPETE formation by Michaelis-Menten equation ...


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


(Homo sapiens (Human))
BDBM50417161
PNG
(CHEMBL1270914)
Show SMILES Fc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C21H14FN3O3S/c22-16-9-7-14(8-10-16)20(26)27-11-3-4-12-29-21-25-24-19(28-21)18-13-15-5-1-2-6-17(15)23-18/h1-2,5-10,13,23H,11-12H2
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23n/an/an/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 catalytic site assessed as 15-HPETE formation by Michaelis-Menten equation ...


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


(Homo sapiens (Human))
BDBM50417167
PNG
(CHEMBL1271222)
Show SMILES Fc1ccc(cc1)C(=O)OC\C=C\CSc1nnc(o1)-c1cccc2ccccc12
Show InChI InChI=1S/C23H17FN2O3S/c24-18-12-10-17(11-13-18)22(27)28-14-3-4-15-30-23-26-25-21(29-23)20-9-5-7-16-6-1-2-8-19(16)20/h1-13H,14-15H2/b4-3+
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26n/an/an/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 catalytic site assessed as 15-HPETE formation by Michaelis-Menten equation ...


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


(Homo sapiens (Human))
BDBM50417155
PNG
(CHEMBL1270412)
Show SMILES Fc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C19H13FN2O3S/c20-16-10-8-15(9-11-16)18(23)24-12-4-5-13-26-19-22-21-17(25-19)14-6-2-1-3-7-14/h1-3,6-11H,12-13H2
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26n/an/an/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 catalytic site assessed as 15-HPETE formation by Michaelis-Menten equation ...


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


(Homo sapiens (Human))
BDBM50417170
PNG
(CHEMBL1270219)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
Show InChI InChI=1S/C24H15F3N2O3S/c25-24(26,27)18-10-5-9-17(15-18)22(30)31-13-3-4-14-33-23-29-28-21(32-23)20-12-6-8-16-7-1-2-11-19(16)20/h1-2,5-12,15H,13-14H2
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27n/an/an/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 catalytic site assessed as 15-HPETE formation by Michaelis-Menten equation ...


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


(Homo sapiens (Human))
BDBM50123669
PNG
(CHEMBL3622735)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(=O)C[C@@H](C)CCCC(C)C
Show InChI InChI=1/C21H28ClNO3/c1-5-26-21(25)20-19(16-10-9-15(22)12-17(16)23-20)18(24)11-14(4)8-6-7-13(2)3/h9-10,12-14,23H,5-8,11H2,1-4H3/t14-/s2
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30n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competitive inhibition of human 15-LOX1 using linoleic acid as substrate after 10 mins by Lineweaver-Burk plot analysis


J Med Chem 58: 7850-62 (2015)

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


(Homo sapiens (Human))
BDBM50417154
PNG
(CHEMBL1270913)
Show SMILES Clc1c(sc2ccccc12)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
Show InChI InChI=1S/C25H15ClN2O3S2/c26-21-19-11-3-4-13-20(19)33-22(21)24(29)30-14-5-6-15-32-25-28-27-23(31-25)18-12-7-9-16-8-1-2-10-17(16)18/h1-4,7-13H,14-15H2
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31n/an/an/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 catalytic site assessed as 15-HPETE formation by Michaelis-Menten equation ...


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


(Homo sapiens (Human))
BDBM50417177
PNG
(CHEMBL1270003)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
Show InChI InChI=1S/C24H18N2O5S2/c1-33(28,29)19-13-11-18(12-14-19)23(27)30-15-4-5-16-32-24-26-25-22(31-24)21-10-6-8-17-7-2-3-9-20(17)21/h2-3,6-14H,15-16H2,1H3
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33n/an/an/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 catalytic site assessed as 15-HPETE formation by Michaelis-Menten equation ...


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


(Homo sapiens (Human))
BDBM50417156
PNG
(CHEMBL1270413)
Show SMILES Fc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1ccccc1F
Show InChI InChI=1S/C19H12F2N2O3S/c20-14-9-7-13(8-10-14)18(24)25-11-3-4-12-27-19-23-22-17(26-19)15-5-1-2-6-16(15)21/h1-2,5-10H,11-12H2
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43n/an/an/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 catalytic site assessed as 15-HPETE formation by Michaelis-Menten equation ...


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


(Homo sapiens (Human))
BDBM50417157
PNG
(CHEMBL1270607)
Show SMILES Fc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1ccccc1Cl
Show InChI InChI=1S/C19H12ClFN2O3S/c20-16-6-2-1-5-15(16)17-22-23-19(26-17)27-12-4-3-11-25-18(24)13-7-9-14(21)10-8-13/h1-2,5-10H,11-12H2
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57n/an/an/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 catalytic site assessed as 15-HPETE formation by Michaelis-Menten equation ...


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


(Homo sapiens (Human))
BDBM50123798
PNG
(CHEMBL235920)
Show SMILES CCN([C@@H]1CCN(C1)C(C)c1ccc(F)cc1)S(=O)(=O)NCCc1nc([nH]c1-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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73n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competitive inhibition of human 15-LOX1 using linoleic acid as substrate after 10 mins by Lineweaver-Burk plot analysis


J Med Chem 58: 7850-62 (2015)

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


(Homo sapiens (Human))
BDBM79955
PNG
(1H-indole-4-carboxylic acid 4-[[5-(1-naphthalenyl)...)
Show SMILES O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1cccc2[nH]ccc12
Show InChI InChI=1S/C25H17N3O3S/c29-24(21-11-6-12-22-19(21)13-14-26-22)30-15-3-4-16-32-25-28-27-23(31-25)20-10-5-8-17-7-1-2-9-18(17)20/h1-2,5-14,26H,15-16H2
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76n/an/an/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 catalytic site assessed as 15-HPETE formation by Michaelis-Menten equation ...


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


(Homo sapiens (Human))
BDBM50123672
PNG
(CHEMBL3622738)
Show SMILES CCCCCCCCCC(=O)c1c([nH]c2cc(Cl)ccc12)C(=O)OCC
Show InChI InChI=1S/C21H28ClNO3/c1-3-5-6-7-8-9-10-11-18(24)19-16-13-12-15(22)14-17(16)23-20(19)21(25)26-4-2/h12-14,23H,3-11H2,1-2H3
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80n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competitive inhibition of human 15-LOX1 using linoleic acid as substrate after 10 mins by Lineweaver-Burk plot analysis


J Med Chem 58: 7850-62 (2015)

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


(Homo sapiens (Human))
BDBM50417160
PNG
(CHEMBL1270811)
Show SMILES COc1ccccc1-c1nnc(SCC#CCOC(=O)c2ccc(F)cc2)o1
Show InChI InChI=1S/C20H15FN2O4S/c1-25-17-7-3-2-6-16(17)18-22-23-20(27-18)28-13-5-4-12-26-19(24)14-8-10-15(21)11-9-14/h2-3,6-11H,12-13H2,1H3
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81n/an/an/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 catalytic site assessed as 15-HPETE formation by Michaelis-Menten equation ...


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


(Homo sapiens (Human))
BDBM50417159
PNG
(CHEMBL1270707)
Show SMILES Fc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1cccs1
Show InChI InChI=1S/C17H11FN2O3S2/c18-13-7-5-12(6-8-13)16(21)22-9-1-2-10-25-17-20-19-15(23-17)14-4-3-11-24-14/h3-8,11H,9-10H2
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82n/an/an/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 catalytic site assessed as 15-HPETE formation by Michaelis-Menten equation ...


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


(Homo sapiens (Human))
BDBM50417152
PNG
(CHEMBL1270504)
Show SMILES O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)C1CCC1
Show InChI InChI=1S/C21H18N2O3S/c24-20(16-9-5-10-16)25-13-3-4-14-27-21-23-22-19(26-21)18-12-6-8-15-7-1-2-11-17(15)18/h1-2,6-8,11-12,16H,5,9-10,13-14H2
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85n/an/an/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 catalytic site assessed as 15-HPETE formation by Michaelis-Menten equation ...


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


(Homo sapiens (Human))
BDBM79800
PNG
(5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...)
Show SMILES CNc1oc(nc1C#N)-c1cccc2ccccc12
Show InChI InChI=1S/C15H11N3O/c1-17-15-13(9-16)18-14(19-15)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,17H,1H3
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100n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged human reticulocyte 12/15-lipoxygenase using arachidonic acid as substrate assessed as equilibrium co...


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


(Homo sapiens (Human))
BDBM50417171
PNG
(CHEMBL1270313)
Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12
Show InChI InChI=1S/C24H14ClF3N2O3S/c25-20-11-10-16(14-19(20)24(26,27)28)22(31)32-12-3-4-13-34-23-30-29-21(33-23)18-9-5-7-15-6-1-2-8-17(15)18/h1-2,5-11,14H,12-13H2
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100n/an/an/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 catalytic site assessed as 15-HPETE formation by Michaelis-Menten equation ...


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


(Homo sapiens (Human))
BDBM50123673
PNG
(CHEMBL3622739)
Show SMILES CCCCCCCC(=O)c1c([nH]c2cc(Cl)ccc12)C(=O)OCC
Show InChI InChI=1S/C19H24ClNO3/c1-3-5-6-7-8-9-16(22)17-14-11-10-13(20)12-15(14)21-18(17)19(23)24-4-2/h10-12,21H,3-9H2,1-2H3
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100n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competitive inhibition of human 15-LOX1 using linoleic acid as substrate after 10 mins by Lineweaver-Burk plot analysis


J Med Chem 58: 7850-62 (2015)

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


(Homo sapiens (Human))
BDBM50123670
PNG
(CHEMBL3622736)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(=O)C[C@H](C)CCCC(C)C
Show InChI InChI=1/C21H28ClNO3/c1-5-26-21(25)20-19(16-10-9-15(22)12-17(16)23-20)18(24)11-14(4)8-6-7-13(2)3/h9-10,12-14,23H,5-8,11H2,1-4H3/t14-/s2
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120n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competitive inhibition of human 15-LOX1 using linoleic acid as substrate after 10 mins by Lineweaver-Burk plot analysis


J Med Chem 58: 7850-62 (2015)

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


(Homo sapiens (Human))
BDBM50417162
PNG
(CHEMBL1270915)
Show SMILES Fc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ncccc12
Show InChI InChI=1S/C22H14FN3O3S/c23-16-10-8-15(9-11-16)21(27)28-13-1-2-14-30-22-26-25-20(29-22)18-5-3-7-19-17(18)6-4-12-24-19/h3-12H,13-14H2
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140n/an/an/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 catalytic site assessed as 15-HPETE formation by Michaelis-Menten equation ...


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


(Homo sapiens (Human))
BDBM50417151
PNG
(CHEMBL1270410)
Show SMILES O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1ccco1
Show InChI InChI=1S/C21H14N2O4S/c24-20(18-11-6-13-25-18)26-12-3-4-14-28-21-23-22-19(27-21)17-10-5-8-15-7-1-2-9-16(15)17/h1-2,5-11,13H,12,14H2
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170n/an/an/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 catalytic site assessed as 15-HPETE formation by Michaelis-Menten equation ...


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


(Homo sapiens (Human))
BDBM50123671
PNG
(CHEMBL3622737)
Show SMILES CCCCCCCCCCCC(=O)c1c([nH]c2cc(Cl)ccc12)C(=O)OCC
Show InChI InChI=1S/C23H32ClNO3/c1-3-5-6-7-8-9-10-11-12-13-20(26)21-18-15-14-17(24)16-19(18)25-22(21)23(27)28-4-2/h14-16,25H,3-13H2,1-2H3
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170n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competitive inhibition of human 15-LOX1 using linoleic acid as substrate after 10 mins by Lineweaver-Burk plot analysis


J Med Chem 58: 7850-62 (2015)

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


(Homo sapiens (Human))
BDBM50123674
PNG
(CHEMBL3622740)
Show SMILES CCCCCC(=O)c1c([nH]c2cc(Cl)ccc12)C(=O)OCC
Show InChI InChI=1S/C17H20ClNO3/c1-3-5-6-7-14(20)15-12-9-8-11(18)10-13(12)19-16(15)17(21)22-4-2/h8-10,19H,3-7H2,1-2H3
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210n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competitive inhibition of human 15-LOX1 using linoleic acid as substrate after 10 mins by Lineweaver-Burk plot analysis


J Med Chem 58: 7850-62 (2015)

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


(Homo sapiens (Human))
BDBM50123679
PNG
(CHEMBL3622745)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(=O)CCc1ccccc1
Show InChI InChI=1S/C20H18ClNO3/c1-2-25-20(24)19-18(15-10-9-14(21)12-16(15)22-19)17(23)11-8-13-6-4-3-5-7-13/h3-7,9-10,12,22H,2,8,11H2,1H3
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220n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competitive inhibition of human 15-LOX1 using linoleic acid as substrate after 10 mins by Lineweaver-Burk plot analysis


J Med Chem 58: 7850-62 (2015)

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


(Homo sapiens (Human))
BDBM50123675
PNG
(CHEMBL3622741)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(=O)Cc1ccccc1
Show InChI InChI=1S/C19H16ClNO3/c1-2-24-19(23)18-17(14-9-8-13(20)11-15(14)21-18)16(22)10-12-6-4-3-5-7-12/h3-9,11,21H,2,10H2,1H3
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250n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competitive inhibition of human 15-LOX1 using linoleic acid as substrate after 10 mins by Lineweaver-Burk plot analysis


J Med Chem 58: 7850-62 (2015)

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


(Homo sapiens (Human))
BDBM50417173
PNG
(CHEMBL1270411)
Show SMILES O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)C1CC1
Show InChI InChI=1S/C20H16N2O3S/c23-19(15-10-11-15)24-12-3-4-13-26-20-22-21-18(25-20)17-9-5-7-14-6-1-2-8-16(14)17/h1-2,5-9,15H,10-13H2
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270n/an/an/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 catalytic site assessed as 15-HPETE formation by Michaelis-Menten equation ...


Citation and Details
More data for this
Ligand-Target Pair
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