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Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for entry = 50044296   
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
Polyunsaturated fatty acid lipoxygenase ALOX15


(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...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(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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1.20E+3n/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...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(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 21n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of rabbit reticulocyte 12/15-lipoxygenase


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM30770
PNG
(2-(1-naphthalenyl)-5-(propylamino)-4-oxazolecarbon...)
Show SMILES CCCNc1oc(nc1C#N)-c1cccc2ccccc12
Show InChI InChI=1S/C17H15N3O/c1-2-10-19-17-15(11-18)20-16(21-17)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,19H,2,10H2,1H3
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n/an/a 100n/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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM32020
PNG
(4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...)
Show SMILES CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3
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n/an/a 110n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human reticulocyte 12/15-lipoxygenase using arachidonic acid/linoleic acid as substrate by fluorescence assay


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011748
PNG
(CHEMBL3262919)
Show SMILES CCCCNc1oc(nc1C#N)-c1cccc2ccccc12
Show InChI InChI=1S/C18H17N3O/c1-2-3-11-20-18-16(12-19)21-17(22-18)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,20H,2-3,11H2,1H3
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n/an/a 120n/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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM44681
PNG
(5-(ethylamino)-2-(1-naphthalenyl)-4-oxazolecarboni...)
Show SMILES CCNc1oc(nc1C#N)-c1cccc2ccccc12
Show InChI InChI=1S/C16H13N3O/c1-2-18-16-14(10-17)19-15(20-16)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,18H,2H2,1H3
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n/an/a 120n/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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(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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n/an/a 200n/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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011749
PNG
(CHEMBL3262920)
Show SMILES CCCCCNc1oc(nc1C#N)-c1cccc2ccccc12
Show InChI InChI=1S/C19H19N3O/c1-2-3-6-12-21-19-17(13-20)22-18(23-19)16-11-7-9-14-8-4-5-10-15(14)16/h4-5,7-11,21H,2-3,6,12H2,1H3
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n/an/a 300n/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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011735
PNG
(CHEMBL3262908)
Show SMILES CNc1oc(nc1C#N)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H7Cl2N3O/c1-15-11-8(5-14)16-10(17-11)6-3-2-4-7(12)9(6)13/h2-4,15H,1H3
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n/an/a 460n/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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011783
PNG
(CHEMBL3262925)
Show SMILES CNc1sc(nc1C#N)-c1cccc2ccccc12
Show InChI InChI=1S/C15H11N3S/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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n/an/a 550n/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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011733
PNG
(CHEMBL3262906)
Show SMILES CNc1oc(nc1C#N)-c1ccc2cnccc2c1
Show InChI InChI=1S/C14H10N4O/c1-16-14-12(7-15)18-13(19-14)10-2-3-11-8-17-5-4-9(11)6-10/h2-6,8,16H,1H3
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n/an/a 730n/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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011736
PNG
(CHEMBL3262909)
Show SMILES CNc1oc(nc1C#N)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H7Cl2N3O/c1-15-11-9(5-14)16-10(17-11)6-2-3-7(12)8(13)4-6/h2-4,15H,1H3
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n/an/a 810n/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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011769
PNG
(CHEMBL1588672)
Show SMILES C=CCNc1oc(nc1C#N)-c1cccc2ccccc12
Show InChI InChI=1S/C17H13N3O/c1-2-10-19-17-15(11-18)20-16(21-17)14-9-5-7-12-6-3-4-8-13(12)14/h2-9,19H,1,10H2
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n/an/a 3.00E+3n/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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011732
PNG
(CHEMBL3262905)
Show SMILES CNc1oc(nc1C#N)-c1cccc2ncccc12
Show InChI InChI=1S/C14H10N4O/c1-16-14-12(8-15)18-13(19-14)10-4-2-6-11-9(10)5-3-7-17-11/h2-7,16H,1H3
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n/an/a 3.60E+3n/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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011742
PNG
(CHEMBL3262915)
Show SMILES CNc1oc(nc1C#N)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C13H10N4O/c1-15-13-11(6-14)17-12(18-13)9-7-16-10-5-3-2-4-8(9)10/h2-5,7,15-16H,1H3
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n/an/a 3.90E+3n/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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011786
PNG
(CHEMBL3262927)
Show SMILES CNc1nnc(o1)-c1cccc2ccccc12
Show InChI InChI=1S/C13H11N3O/c1-14-13-16-15-12(17-13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,14,16)
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n/an/a 5.40E+3n/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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011744
PNG
(CHEMBL3262916)
Show SMILES CNc1oc(nc1C#N)-c1cccc(Cl)c1
Show InChI InChI=1S/C11H8ClN3O/c1-14-11-9(6-13)15-10(16-11)7-3-2-4-8(12)5-7/h2-5,14H,1H3
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n/an/a 6.30E+3n/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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011738
PNG
(CHEMBL3262911)
Show SMILES CNc1oc(nc1C#N)-c1ccc2OCOc2c1
Show InChI InChI=1S/C12H9N3O3/c1-14-12-8(5-13)15-11(18-12)7-2-3-9-10(4-7)17-6-16-9/h2-4,14H,6H2,1H3
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n/an/a 7.60E+3n/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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011773
PNG
(CHEMBL1520057)
Show SMILES CC(=O)Nc1oc(nc1C#N)-c1cccc2ccccc12
Show InChI InChI=1S/C16H11N3O2/c1-10(20)18-16-14(9-17)19-15(21-16)13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,1H3,(H,18,20)
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n/an/a 1.00E+4n/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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011745
PNG
(CHEMBL3262917)
Show SMILES CNc1oc(nc1C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C11H8FN3O/c1-14-11-9(6-13)15-10(16-11)7-2-4-8(12)5-3-7/h2-5,14H,1H3
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n/an/a 1.50E+4n/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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011740
PNG
(CHEMBL3262913)
Show SMILES CNc1oc(nc1C#N)-c1ccccc1-c1ccccc1
Show InChI InChI=1S/C17H13N3O/c1-19-17-15(11-18)20-16(21-17)14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-10,19H,1H3
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n/an/a 2.30E+4n/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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011743
PNG
(CHEMBL1547372)
Show SMILES CNc1oc(nc1C#N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C11H8ClN3O/c1-14-11-9(6-13)15-10(16-11)7-2-4-8(12)5-3-7/h2-5,14H,1H3
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n/an/a 2.50E+4n/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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011747
PNG
(CHEMBL1551303)
Show SMILES Nc1oc(nc1C#N)-c1cccc2ccccc12
Show InChI InChI=1S/C14H9N3O/c15-8-12-13(16)18-14(17-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,16H2
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n/an/a 2.50E+4n/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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011776
PNG
(CHEMBL3262923)
Show SMILES N#Cc1nc(oc1NC1COC1)-c1cccc2ccccc12
Show InChI InChI=1S/C17H13N3O2/c18-8-15-17(19-12-9-21-10-12)22-16(20-15)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12,19H,9-10H2
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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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011797
PNG
(CHEMBL3262930)
Show SMILES CNc1sc(nc1C(=O)OC)-c1cccc2ccccc12
Show InChI InChI=1S/C16H14N2O2S/c1-17-15-13(16(19)20-2)18-14(21-15)12-9-5-7-10-6-3-4-8-11(10)12/h3-9,17H,1-2H3
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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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011795
PNG
(CHEMBL3262922)
Show SMILES N#Cc1nc(oc1Nc1ccccc1)-c1cccc2ccccc12
Show InChI InChI=1S/C20H13N3O/c21-13-18-20(22-15-9-2-1-3-10-15)24-19(23-18)17-12-6-8-14-7-4-5-11-16(14)17/h1-12,22H
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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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011794
PNG
(CHEMBL3262921)
Show SMILES N#Cc1nc(oc1NCc1ccccc1)-c1cccc2ccccc12
Show InChI InChI=1S/C21H15N3O/c22-13-19-21(23-14-15-7-2-1-3-8-15)25-20(24-19)18-12-6-10-16-9-4-5-11-17(16)18/h1-12,23H,14H2
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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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011792
PNG
(CHEMBL3262904)
Show SMILES CNc1oc(nc1C#N)-c1cccc2cnccc12
Show InChI InChI=1S/C14H10N4O/c1-16-14-12(7-15)18-13(19-14)11-4-2-3-9-8-17-6-5-10(9)11/h2-6,8,16H,1H3
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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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011791
PNG
(CHEMBL3262903)
Show SMILES CNc1oc(nc1C#N)-c1ccc2ccccc2c1
Show InChI InChI=1S/C15H11N3O/c1-17-15-13(9-16)18-14(19-15)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,17H,1H3
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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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011793
PNG
(CHEMBL3186736)
Show SMILES CN(C)c1oc(nc1C#N)-c1cccc2ccccc12
Show InChI InChI=1S/C16H13N3O/c1-19(2)16-14(10-17)18-15(20-16)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,1-2H3
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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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011737
PNG
(CHEMBL3262910)
Show SMILES CNc1oc(nc1C#N)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C13H11N3O3/c1-15-13-9(7-14)16-12(19-13)8-2-3-10-11(6-8)18-5-4-17-10/h2-3,6,15H,4-5H2,1H3
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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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011772
PNG
(CHEMBL1605218)
Show SMILES CC(C)Nc1oc(nc1C#N)-c1cccc2ccccc12
Show InChI InChI=1S/C17H15N3O/c1-11(2)19-17-15(10-18)20-16(21-17)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11,19H,1-2H3
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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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011782
PNG
(CHEMBL3262924)
Show SMILES N#Cc1nc(oc1NC1CNC1)-c1cccc2ccccc12
Show InChI InChI=1S/C17H14N4O/c18-8-15-17(20-12-9-19-10-12)22-16(21-15)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12,19-20H,9-10H2
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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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011784
PNG
(CHEMBL3262926)
Show SMILES CNc1ncc(o1)-c1cccc2ccccc12
Show InChI InChI=1S/C14H12N2O/c1-15-14-16-9-13(17-14)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,15,16)
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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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011785
PNG
(CHEMBL3259851)
Show SMILES CNc1nc(C#N)c(o1)-c1cccc2ccccc12
Show InChI InChI=1S/C15H11N3O/c1-17-15-18-13(9-16)14(19-15)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H,17,18)
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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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011787
PNG
(CHEMBL3262928)
Show SMILES CNc1nnc(s1)-c1cccc2ccccc12
Show InChI InChI=1S/C13H11N3S/c1-14-13-16-15-12(17-13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,14,16)
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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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011788
PNG
(CHEMBL3262929)
Show SMILES CNc1oc(nc1C(=O)OC)-c1cccc2ccccc12
Show InChI InChI=1S/C16H14N2O3/c1-17-15-13(16(19)20-2)18-14(21-15)12-9-5-7-10-6-3-4-8-11(10)12/h3-9,17H,1-2H3
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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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011789
PNG
(CHEMBL3262931 | US10287279, Compound 39)
Show SMILES CNc1nc(ccc1C#N)-c1cccc2ccccc12
Show InChI InChI=1S/C17H13N3/c1-19-17-13(11-18)9-10-16(20-17)15-8-4-6-12-5-2-3-7-14(12)15/h2-10H,1H3,(H,19,20)
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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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011790
PNG
(CHEMBL3262932 | US10287279, Compound 40)
Show SMILES CNc1nccc(n1)-c1cccc2ccccc12
Show InChI InChI=1S/C15H13N3/c1-16-15-17-10-9-14(18-15)13-8-4-6-11-5-2-3-7-12(11)13/h2-10H,1H3,(H,16,17,18)
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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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011741
PNG
(CHEMBL3262914)
Show SMILES CNc1oc(nc1C#N)-c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C13H10N4O/c1-15-13-11(7-14)17-12(18-13)9-3-2-8-4-5-16-10(8)6-9/h2-6,15-16H,1H3
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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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011739
PNG
(CHEMBL3262912)
Show SMILES CNc1oc(nc1C#N)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H13N3O/c1-19-17-15(11-18)20-16(21-17)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,19H,1H3
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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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011734
PNG
(CHEMBL3262907)
Show SMILES CNc1oc(nc1C#N)-c1cccc2nccnc12
Show InChI InChI=1S/C13H9N5O/c1-15-13-10(7-14)18-12(19-13)8-3-2-4-9-11(8)17-6-5-16-9/h2-6,15H,1H3
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n/an/a>4.00E+4n/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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011783
PNG
(CHEMBL3262925)
Show SMILES CNc1sc(nc1C#N)-c1cccc2ccccc12
Show InChI InChI=1S/C15H11N3S/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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n/an/a>5.00E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-lipoxygenase using arachidonic acid as substrate by UV-vis spectrometric analysis


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B


(Homo sapiens (Human))
BDBM50011735
PNG
(CHEMBL3262908)
Show SMILES CNc1oc(nc1C#N)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H7Cl2N3O/c1-15-11-8(5-14)16-10(17-11)6-3-2-4-7(12)9(6)13/h2-4,15H,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human epithelial 15-lipoxygenase-2 using arachidonic acid as substrate by UV-vis spectrometric analysis


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011746
PNG
(CHEMBL3262918)
Show SMILES CNc1oc(nc1C#N)C1CCCC1
Show InChI InChI=1S/C10H13N3O/c1-12-10-8(6-11)13-9(14-10)7-4-2-3-5-7/h7,12H,2-5H2,1H3
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n/an/a>5.00E+4n/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 by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011736
PNG
(CHEMBL3262909)
Show SMILES CNc1oc(nc1C#N)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H7Cl2N3O/c1-15-11-9(5-14)16-10(17-11)6-2-3-7(12)8(13)4-6/h2-4,15H,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-lipoxygenase using arachidonic acid as substrate by UV-vis spectrometric analysis


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15B


(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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n/an/a>5.00E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human epithelial 15-lipoxygenase-2 using arachidonic acid as substrate by UV-vis spectrometric analysis


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-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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n/an/a>5.00E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human 5-lipoxygenase using arachidonic acid as substrate by UV-vis spectrometric analysis


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50011735
PNG
(CHEMBL3262908)
Show SMILES CNc1oc(nc1C#N)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H7Cl2N3O/c1-15-11-8(5-14)16-10(17-11)6-3-2-4-7(12)9(6)13/h2-4,15H,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-lipoxygenase using arachidonic acid as substrate by UV-vis spectrometric analysis


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
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