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Compile Data Set for Download or QSAR

Found 110 hits with Last Name = 'whitman' and Initial = 's'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50221405
PNG
(CHEMBL391079 | dysidenin)
Show SMILES C[C@@H](C[C@H](N(C)C(=O)C[C@H](C)C(Cl)(Cl)Cl)C(=O)N[C@@H](C)c1nccs1)C(Cl)(Cl)Cl
Show InChI InChI=1S/C17H23Cl6N3O2S/c1-9(16(18,19)20)7-12(14(28)25-11(3)15-24-5-6-29-15)26(4)13(27)8-10(2)17(21,22)23/h5-6,9-12H,7-8H2,1-4H3,(H,25,28)/t9-,10-,11-,12-/m0/s1
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8.00E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human 15-hLO1


Bioorg Med Chem 15: 6900-8 (2007)


Article DOI: 10.1016/j.bmc.2007.08.015
BindingDB Entry DOI: 10.7270/Q2Z89D81
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50221405
PNG
(CHEMBL391079 | dysidenin)
Show SMILES C[C@@H](C[C@H](N(C)C(=O)C[C@H](C)C(Cl)(Cl)Cl)C(=O)N[C@@H](C)c1nccs1)C(Cl)(Cl)Cl
Show InChI InChI=1S/C17H23Cl6N3O2S/c1-9(16(18,19)20)7-12(14(28)25-11(3)15-24-5-6-29-15)26(4)13(27)8-10(2)17(21,22)23/h5-6,9-12H,7-8H2,1-4H3,(H,25,28)/t9-,10-,11-,12-/m0/s1
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9.00E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human 12-hLO


Bioorg Med Chem 15: 6900-8 (2007)


Article DOI: 10.1016/j.bmc.2007.08.015
BindingDB Entry DOI: 10.7270/Q2Z89D81
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50221404
PNG
(CHEMBL392270 | neodysidenin)
Show SMILES C[C@@H](C[C@H](NC(=O)C[C@H](C)C(Cl)(Cl)Cl)C(=O)N(C)[C@H](C)c1nccs1)C(Cl)(Cl)Cl
Show InChI InChI=1S/C17H23Cl6N3O2S/c1-9(16(18,19)20)7-12(25-13(27)8-10(2)17(21,22)23)15(28)26(4)11(3)14-24-5-6-29-14/h5-6,9-12H,7-8H2,1-4H3,(H,25,27)/t9-,10-,11+,12-/m0/s1
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1.70E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human 12-hLO


Bioorg Med Chem 15: 6900-8 (2007)


Article DOI: 10.1016/j.bmc.2007.08.015
BindingDB Entry DOI: 10.7270/Q2Z89D81
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50221404
PNG
(CHEMBL392270 | neodysidenin)
Show SMILES C[C@@H](C[C@H](NC(=O)C[C@H](C)C(Cl)(Cl)Cl)C(=O)N(C)[C@H](C)c1nccs1)C(Cl)(Cl)Cl
Show InChI InChI=1S/C17H23Cl6N3O2S/c1-9(16(18,19)20)7-12(25-13(27)8-10(2)17(21,22)23)15(28)26(4)11(3)14-24-5-6-29-14/h5-6,9-12H,7-8H2,1-4H3,(H,25,27)/t9-,10-,11+,12-/m0/s1
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>5.00E+5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human 15-hLO1


Bioorg Med Chem 15: 6900-8 (2007)


Article DOI: 10.1016/j.bmc.2007.08.015
BindingDB Entry DOI: 10.7270/Q2Z89D81
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM50114094
PNG
(4-bromo-5-[(2R,3S)-4-(2-bromo-4,5-dihydroxyphenyl)...)
Show SMILES C[C@@H](Cc1cc(O)c(O)cc1Br)[C@H](C)Cc1cc(O)c(O)cc1Br
Show InChI InChI=1S/C18H20Br2O4/c1-9(3-11-5-15(21)17(23)7-13(11)19)10(2)4-12-6-16(22)18(24)8-14(12)20/h5-10,21-24H,3-4H2,1-2H3/t9-,10+
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n/an/a 57n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against soybean 1-lipoxygenase (SLO)


J Med Chem 45: 2659-61 (2002)


BindingDB Entry DOI: 10.7270/Q2GT5NWN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50114093
PNG
(4-chloro-5-[(2R,3S)-4-(2-chloro-4,5-dihydroxypheny...)
Show SMILES C[C@@H](Cc1cc(O)c(O)cc1Cl)[C@H](C)Cc1cc(O)c(O)cc1Cl
Show InChI InChI=1S/C18H20Cl2O4/c1-9(3-11-5-15(21)17(23)7-13(11)19)10(2)4-12-6-16(22)18(24)8-14(12)20/h5-10,21-24H,3-4H2,1-2H3/t9-,10+
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n/an/a 65n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against human reticulocyte 15-lipoxygenase (15-HLO)


J Med Chem 45: 2659-61 (2002)


BindingDB Entry DOI: 10.7270/Q2GT5NWN
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM50114093
PNG
(4-chloro-5-[(2R,3S)-4-(2-chloro-4,5-dihydroxypheny...)
Show SMILES C[C@@H](Cc1cc(O)c(O)cc1Cl)[C@H](C)Cc1cc(O)c(O)cc1Cl
Show InChI InChI=1S/C18H20Cl2O4/c1-9(3-11-5-15(21)17(23)7-13(11)19)10(2)4-12-6-16(22)18(24)8-14(12)20/h5-10,21-24H,3-4H2,1-2H3/t9-,10+
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n/an/a 65n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against soybean 1-lipoxygenase (SLO)


J Med Chem 45: 2659-61 (2002)


BindingDB Entry DOI: 10.7270/Q2GT5NWN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50114094
PNG
(4-bromo-5-[(2R,3S)-4-(2-bromo-4,5-dihydroxyphenyl)...)
Show SMILES C[C@@H](Cc1cc(O)c(O)cc1Br)[C@H](C)Cc1cc(O)c(O)cc1Br
Show InChI InChI=1S/C18H20Br2O4/c1-9(3-11-5-15(21)17(23)7-13(11)19)10(2)4-12-6-16(22)18(24)8-14(12)20/h5-10,21-24H,3-4H2,1-2H3/t9-,10+
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n/an/a 83n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against human reticulocyte 15-lipoxygenase (15-HLO)


J Med Chem 45: 2659-61 (2002)


BindingDB Entry DOI: 10.7270/Q2GT5NWN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50114097
PNG
(4-[4-(2,2-dimethylbenzo[d][1,3]dioxol-5-yl)-2,3-di...)
Show SMILES C[C@@H](Cc1ccc2OC(C)(C)Oc2c1)[C@H](C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C21H26O4/c1-13(9-15-5-7-17(22)18(23)11-15)14(2)10-16-6-8-19-20(12-16)25-21(3,4)24-19/h5-8,11-14,22-23H,9-10H2,1-4H3/t13-,14+/m1/s1
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n/an/a 85n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against human reticulocyte 15-lipoxygenase (15-HLO)


J Med Chem 45: 2659-61 (2002)


BindingDB Entry DOI: 10.7270/Q2GT5NWN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50150780
PNG
(4-[(2R)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]...)
Show SMILES CC(Cc1ccc(O)c(O)c1)[C@H](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/t11-,12?/m1/s1
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n/an/a 110n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory effect on human reticulocyte 15-lipoxygenase


J Med Chem 47: 4060-5 (2004)


Article DOI: 10.1021/jm049872s
BindingDB Entry DOI: 10.7270/Q2SX6CPV
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM22372
PNG
(4-[(2R,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbut...)
Show SMILES C[C@@H](Cc1ccc(O)c(O)c1)[C@H](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/t11-,12+
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n/an/a 110n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human reticulocyte 15-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM22372
PNG
(4-[(2R,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbut...)
Show SMILES C[C@@H](Cc1ccc(O)c(O)c1)[C@H](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/t11-,12+
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n/an/a 110n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against human reticulocyte 15-lipoxygenase (15-HLO)


J Med Chem 45: 2659-61 (2002)


BindingDB Entry DOI: 10.7270/Q2GT5NWN
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM50114097
PNG
(4-[4-(2,2-dimethylbenzo[d][1,3]dioxol-5-yl)-2,3-di...)
Show SMILES C[C@@H](Cc1ccc2OC(C)(C)Oc2c1)[C@H](C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C21H26O4/c1-13(9-15-5-7-17(22)18(23)11-15)14(2)10-16-6-8-19-20(12-16)25-21(3,4)24-19/h5-8,11-14,22-23H,9-10H2,1-4H3/t13-,14+/m1/s1
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n/an/a 140n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against soybean 1-lipoxygenase (SLO)


J Med Chem 45: 2659-61 (2002)


BindingDB Entry DOI: 10.7270/Q2GT5NWN
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM50114096
PNG
(4-ethyl-5-[4-(2-ethyl-4,5-dihydroxyphenyl)-2,3-dim...)
Show SMILES CCc1cc(O)c(O)cc1C[C@H](C)[C@H](C)Cc1cc(O)c(O)cc1CC
Show InChI InChI=1S/C22H30O4/c1-5-15-9-19(23)21(25)11-17(15)7-13(3)14(4)8-18-12-22(26)20(24)10-16(18)6-2/h9-14,23-26H,5-8H2,1-4H3/t13-,14+
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n/an/a 140n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against soybean 1-lipoxygenase (SLO)


J Med Chem 45: 2659-61 (2002)


BindingDB Entry DOI: 10.7270/Q2GT5NWN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50158387
PNG
(4-[(3-carboxy-4-hydroxy-1-naphthyl)(oxo)acetyl]-1-...)
Show SMILES OC(=O)c1cc(C(=O)C(=O)c2cc(C(O)=O)c(O)c3ccccc23)c2ccccc2c1O
Show InChI InChI=1S/C24H14O8/c25-19-13-7-3-1-5-11(13)15(9-17(19)23(29)30)21(27)22(28)16-10-18(24(31)32)20(26)14-8-4-2-6-12(14)16/h1-10,25-26H,(H,29,30)(H,31,32)
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n/an/a 150n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human 12-hLO


Bioorg Med Chem 15: 6900-8 (2007)


Article DOI: 10.1016/j.bmc.2007.08.015
BindingDB Entry DOI: 10.7270/Q2Z89D81
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50114096
PNG
(4-ethyl-5-[4-(2-ethyl-4,5-dihydroxyphenyl)-2,3-dim...)
Show SMILES CCc1cc(O)c(O)cc1C[C@H](C)[C@H](C)Cc1cc(O)c(O)cc1CC
Show InChI InChI=1S/C22H30O4/c1-5-15-9-19(23)21(25)11-17(15)7-13(3)14(4)8-18-12-22(26)20(24)10-16(18)6-2/h9-14,23-26H,5-8H2,1-4H3/t13-,14+
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n/an/a 160n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against human reticulocyte 15-lipoxygenase (15-HLO)


J Med Chem 45: 2659-61 (2002)


BindingDB Entry DOI: 10.7270/Q2GT5NWN
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM50065996
PNG
(4-[(2S,3R)-4-(4-Hydroxy-3-methoxy-phenyl)-2,3-dime...)
Show SMILES COc1cc(C[C@@H](C)[C@@H](C)Cc2ccc(O)c(O)c2)ccc1O
Show InChI InChI=1S/C19H24O4/c1-12(8-14-4-6-16(20)18(22)10-14)13(2)9-15-5-7-17(21)19(11-15)23-3/h4-7,10-13,20-22H,8-9H2,1-3H3/t12-,13+/m0/s1
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n/an/a 170n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against soybean 1-lipoxygenase (SLO)


J Med Chem 45: 2659-61 (2002)


BindingDB Entry DOI: 10.7270/Q2GT5NWN
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22372
PNG
(4-[(2R,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbut...)
Show SMILES C[C@@H](Cc1ccc(O)c(O)c1)[C@H](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/t11-,12+
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n/an/a 180n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against soybean 1-lipoxygenase (SLO)


J Med Chem 45: 2659-61 (2002)


BindingDB Entry DOI: 10.7270/Q2GT5NWN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM22372
PNG
(4-[(2R,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbut...)
Show SMILES C[C@@H](Cc1ccc(O)c(O)c1)[C@H](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/t11-,12+
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n/an/a 180n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human platelet 12-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50221402
PNG
(CHEMBL238624 | NSC-172033)
Show SMILES Oc1c(Cl)cc(cc1Cl)C(C(c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1
Show InChI InChI=1S/C26H14Cl8O4/c27-13-1-9(2-14(28)23(13)35)21(10-3-15(29)24(36)16(30)4-10)22(11-5-17(31)25(37)18(32)6-11)12-7-19(33)26(38)20(34)8-12/h1-8,21-22,35-38H
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n/an/a 210n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human 12-hLO


Bioorg Med Chem 15: 6900-8 (2007)


Article DOI: 10.1016/j.bmc.2007.08.015
BindingDB Entry DOI: 10.7270/Q2Z89D81
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50065996
PNG
(4-[(2S,3R)-4-(4-Hydroxy-3-methoxy-phenyl)-2,3-dime...)
Show SMILES COc1cc(C[C@@H](C)[C@@H](C)Cc2ccc(O)c(O)c2)ccc1O
Show InChI InChI=1S/C19H24O4/c1-12(8-14-4-6-16(20)18(22)10-14)13(2)9-15-5-7-17(21)19(11-15)23-3/h4-7,10-13,20-22H,8-9H2,1-3H3/t12-,13+/m0/s1
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n/an/a 250n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against human reticulocyte 15-lipoxygenase (15-HLO)


J Med Chem 45: 2659-61 (2002)


BindingDB Entry DOI: 10.7270/Q2GT5NWN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50242010
PNG
((+)-(5S,8S,9R,10S)-20-methoxypuupehenone | CHEMBL4...)
Show SMILES COC1=CC2=C[C@H]3[C@](C)(CC[C@H]4C(C)(C)CCC[C@]34C)OC2=CC1=O |r,c:24,t:2,4|
Show InChI InChI=1S/C22H30O3/c1-20(2)8-6-9-21(3)18(20)7-10-22(4)19(21)12-14-11-17(24-5)15(23)13-16(14)25-22/h11-13,18-19H,6-10H2,1-5H3/t18-,19+,21-,22-/m0/s1
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n/an/a 260n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human platelet 12-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50242017
PNG
((+)-(5S,8S,10S)-20-methoxypuupehenol | (+)-(5S,8S,...)
Show SMILES CO[C@H]1[C@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@]23C)Oc2cc(O)c(OC)cc12 |r|
Show InChI InChI=1S/C23H34O4/c1-21(2)9-7-10-22(3)18(21)8-11-23(4)20(22)19(26-6)14-12-17(25-5)15(24)13-16(14)27-23/h12-13,18-20,24H,7-11H2,1-6H3/t18-,19+,20+,22-,23-/m0/s1
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n/an/a 280n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human platelet 12-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50240936
PNG
(2-[(2E,6E)-3,7-Dimethyl-9-(2,6,6-trimethyl-cyclohe...)
Show SMILES C\C(CC\C=C(/C)CCC1=C(C)CCCC1(C)C)=C/Cc1cc(O)ccc1O |c:9|
Show InChI InChI=1S/C26H38O2/c1-19(11-13-22-18-23(27)14-16-25(22)28)8-6-9-20(2)12-15-24-21(3)10-7-17-26(24,4)5/h9,11,14,16,18,27-28H,6-8,10,12-13,15,17H2,1-5H3/b19-11+,20-9+
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n/an/a 300n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human reticulocyte 15-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50114095
PNG
(4-[(2R,3S)-4-(4,5-dihydroxy-2-nitrophenyl)-2,3-dim...)
Show SMILES C[C@@H](Cc1cc(O)c(O)cc1[N+]([O-])=O)[C@H](C)Cc1cc(O)c(O)cc1[N+]([O-])=O
Show InChI InChI=1S/C18H20N2O8/c1-9(3-11-5-15(21)17(23)7-13(11)19(25)26)10(2)4-12-6-16(22)18(24)8-14(12)20(27)28/h5-10,21-24H,3-4H2,1-2H3/t9-,10+
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n/an/a 350n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against human reticulocyte 15-lipoxygenase (15-HLO)


J Med Chem 45: 2659-61 (2002)


BindingDB Entry DOI: 10.7270/Q2GT5NWN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50114095
PNG
(4-[(2R,3S)-4-(4,5-dihydroxy-2-nitrophenyl)-2,3-dim...)
Show SMILES C[C@@H](Cc1cc(O)c(O)cc1[N+]([O-])=O)[C@H](C)Cc1cc(O)c(O)cc1[N+]([O-])=O
Show InChI InChI=1S/C18H20N2O8/c1-9(3-11-5-15(21)17(23)7-13(11)19(25)26)10(2)4-12-6-16(22)18(24)8-14(12)20(27)28/h5-10,21-24H,3-4H2,1-2H3/t9-,10+
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n/an/a 360n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against human platelet 12-lipoxygenase (12-HLO)


J Med Chem 45: 2659-61 (2002)


BindingDB Entry DOI: 10.7270/Q2GT5NWN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50114093
PNG
(4-chloro-5-[(2R,3S)-4-(2-chloro-4,5-dihydroxypheny...)
Show SMILES C[C@@H](Cc1cc(O)c(O)cc1Cl)[C@H](C)Cc1cc(O)c(O)cc1Cl
Show InChI InChI=1S/C18H20Cl2O4/c1-9(3-11-5-15(21)17(23)7-13(11)19)10(2)4-12-6-16(22)18(24)8-14(12)20/h5-10,21-24H,3-4H2,1-2H3/t9-,10+
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n/an/a 360n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against human platelet 12-lipoxygenase (12-HLO)


J Med Chem 45: 2659-61 (2002)


BindingDB Entry DOI: 10.7270/Q2GT5NWN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50114092
PNG
(1-{2-[4-(2-Acetyl-4,5-dihydroxy-phenyl)-2,3-dimeth...)
Show SMILES C[C@@H](Cc1cc(O)c(O)cc1C(C)=O)[C@H](C)Cc1cc(O)c(O)cc1C(C)=O
Show InChI InChI=1S/C22H26O6/c1-11(5-15-7-19(25)21(27)9-17(15)13(3)23)12(2)6-16-8-20(26)22(28)10-18(16)14(4)24/h7-12,25-28H,5-6H2,1-4H3/t11-,12+
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n/an/a 380n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against human reticulocyte 15-lipoxygenase (15-HLO)


J Med Chem 45: 2659-61 (2002)


BindingDB Entry DOI: 10.7270/Q2GT5NWN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50150794
PNG
(CHEMBL186752 | N-[2-(3-Bromo-4-hydroxy-phenyl)-eth...)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(Oc3cc(CC(N=O)C(=O)NC=Cc4ccc(O)c(Br)c4)cc(Br)c3O)c(Br)c2)N=O)cc1Br |w:29.29|
Show InChI InChI=1S/C34H27Br5N4O8/c35-21-9-17(1-3-28(21)44)5-7-40-33(47)26(42-49)14-19-12-24(38)32(25(39)13-19)51-30-16-20(11-23(37)31(30)46)15-27(43-50)34(48)41-8-6-18-2-4-29(45)22(36)10-18/h1-4,6,8-13,16,26-27,44-46H,5,7,14-15H2,(H,40,47)(H,41,48)
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n/an/a 400n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory effect on human platelet 12-lipoxygenase


J Med Chem 47: 4060-5 (2004)


Article DOI: 10.1021/jm049872s
BindingDB Entry DOI: 10.7270/Q2SX6CPV
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50135851
PNG
(2,3,4,5-tetrabromo-6-(3,5-dibromo-2-hydroxy-phenox...)
Show SMILES Oc1c(Br)cc(Br)cc1Oc1c(O)c(Br)c(Br)c(Br)c1Br
Show InChI InChI=1S/C12H4Br6O3/c13-3-1-4(14)10(19)5(2-3)21-12-9(18)7(16)6(15)8(17)11(12)20/h1-2,19-20H
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n/an/a 410n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory effect on human platelet 12-lipoxygenase


J Med Chem 47: 4060-5 (2004)


Article DOI: 10.1021/jm049872s
BindingDB Entry DOI: 10.7270/Q2SX6CPV
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50114094
PNG
(4-bromo-5-[(2R,3S)-4-(2-bromo-4,5-dihydroxyphenyl)...)
Show SMILES C[C@@H](Cc1cc(O)c(O)cc1Br)[C@H](C)Cc1cc(O)c(O)cc1Br
Show InChI InChI=1S/C18H20Br2O4/c1-9(3-11-5-15(21)17(23)7-13(11)19)10(2)4-12-6-16(22)18(24)8-14(12)20/h5-10,21-24H,3-4H2,1-2H3/t9-,10+
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n/an/a 430n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against human platelet 12-lipoxygenase (12-HLO)


J Med Chem 45: 2659-61 (2002)


BindingDB Entry DOI: 10.7270/Q2GT5NWN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50206259
PNG
(CHEMBL230058 | hydrohalisulfate 1)
Show SMILES C[C@H](CCC\C(C)=C\Cc1cc(O)ccc1O)[C@H](O)C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C |r,c:23|
Show InChI InChI=1S/C31H48O3/c1-21(11-13-24-19-25(32)14-15-27(24)33)9-7-10-23(3)28(34)20-26-22(2)12-16-29-30(4,5)17-8-18-31(26,29)6/h11-12,14-15,19,23,26,28-29,32-34H,7-10,13,16-18,20H2,1-6H3/b21-11+/t23-,26+,28-,29+,31-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human reticulocyte 15-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50065995
PNG
(4-[(2S,3R)-4-(3,4-Dimethoxy-phenyl)-2,3-dimethyl-b...)
Show SMILES COc1ccc(C[C@@H](C)[C@@H](C)Cc2ccc(O)c(O)c2)cc1OC
Show InChI InChI=1S/C20H26O4/c1-13(9-15-5-7-17(21)18(22)11-15)14(2)10-16-6-8-19(23-3)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3/t13-,14+/m0/s1
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n/an/a 580n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against human reticulocyte 15-lipoxygenase (15-HLO)


J Med Chem 45: 2659-61 (2002)


BindingDB Entry DOI: 10.7270/Q2GT5NWN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50214969
PNG
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3
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n/an/a 580n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human 12-hLO


Bioorg Med Chem 15: 6900-8 (2007)


Article DOI: 10.1016/j.bmc.2007.08.015
BindingDB Entry DOI: 10.7270/Q2Z89D81
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50065997
PNG
(5-[4-(3-hydroxy-4-methoxyphenyl)-2,3-dimethyl-(2R,...)
Show SMILES COc1ccc(C[C@H](C)[C@H](C)Cc2ccc(OC)c(O)c2)cc1O |r|
Show InChI InChI=1S/C20H26O4/c1-13(9-15-5-7-19(23-3)17(21)11-15)14(2)10-16-6-8-20(24-4)18(22)12-16/h5-8,11-14,21-22H,9-10H2,1-4H3/t13-,14+
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n/an/a 580n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human reticulocyte 15-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50150785
PNG
(2,3,4,5-Tetrabromo-6-(2,4-dibromo-phenoxy)-phenol ...)
Show SMILES Oc1c(Br)c(Br)c(Br)c(Br)c1Oc1ccc(Br)cc1Br
Show InChI InChI=1S/C12H4Br6O2/c13-4-1-2-6(5(14)3-4)20-12-10(18)8(16)7(15)9(17)11(12)19/h1-3,19H
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n/an/a 700n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory effect on human platelet 12-lipoxygenase


J Med Chem 47: 4060-5 (2004)


Article DOI: 10.1021/jm049872s
BindingDB Entry DOI: 10.7270/Q2SX6CPV
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50240865
PNG
((4aS,6aS,12aR,12bS)-10-Hydroxy-4,4,6a,12b-tetramet...)
Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3=CC(=O)C(=O)CC3=C[C@H]21 |r,c:23,t:15|
Show InChI InChI=1S/C21H28O3/c1-19(2)7-5-8-20(3)17(19)6-9-21(4)18(20)11-13-10-14(22)15(23)12-16(13)24-21/h11-12,17-18H,5-10H2,1-4H3/t17-,18+,20-,21-/m0/s1
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n/an/a 760n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human reticulocyte 15-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50269763
PNG
((+)-(5S,8S,10S)-20-methoxy-9,15-ene-puupehenol | C...)
Show SMILES COc1cc2C=C3[C@H](CC[C@H]4C(C)(C)CCC[C@]34C)Oc2cc1O |r,c:5|
Show InChI InChI=1S/C21H28O3/c1-20(2)8-5-9-21(3)14-10-13-11-18(23-4)15(22)12-17(13)24-16(14)6-7-19(20)21/h10-12,16,19,22H,5-9H2,1-4H3/t16-,19-,21+/m0/s1
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n/an/a 780n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human platelet 12-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50135851
PNG
(2,3,4,5-tetrabromo-6-(3,5-dibromo-2-hydroxy-phenox...)
Show SMILES Oc1c(Br)cc(Br)cc1Oc1c(O)c(Br)c(Br)c(Br)c1Br
Show InChI InChI=1S/C12H4Br6O3/c13-3-1-4(14)10(19)5(2-3)21-12-9(18)7(16)6(15)8(17)11(12)20/h1-2,19-20H
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n/an/a 790n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory effect on human reticulocyte 15-lipoxygenase


J Med Chem 47: 4060-5 (2004)


Article DOI: 10.1021/jm049872s
BindingDB Entry DOI: 10.7270/Q2SX6CPV
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50150791
PNG
(3,6,8-Tribromo-dibenzo[1,4]dioxin-1-ol | CHEMBL185...)
Show SMILES Oc1cc(Br)cc2Oc3c(Br)cc(Br)cc3Oc12
Show InChI InChI=1S/C12H5Br3O3/c13-5-1-7(15)11-9(3-5)18-12-8(16)2-6(14)4-10(12)17-11/h1-4,16H
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n/an/a 800n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory effect on human reticulocyte 15-lipoxygenase


J Med Chem 47: 4060-5 (2004)


Article DOI: 10.1021/jm049872s
BindingDB Entry DOI: 10.7270/Q2SX6CPV
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50269748
PNG
(21-chloro-puupehenone | CHEMBL465616 | chloropuupe...)
Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3=CC(=O)C(=O)C(Cl)C3=C[C@H]21 |r,c:24,t:15|
Show InChI InChI=1S/C21H27ClO3/c1-19(2)7-5-8-20(3)15(19)6-9-21(4)16(20)10-12-14(25-21)11-13(23)18(24)17(12)22/h10-11,15-17H,5-9H2,1-4H3/t15-,16+,17?,20-,21-/m0/s1
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n/an/a 830n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human reticulocyte 15-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50206257
PNG
(CHEMBL387584 | CHEMBL450482 | halisulfate 1 | sodi...)
Show SMILES C[C@H](CCC\C(C)=C\Cc1cc(O)ccc1O)[C@@H](C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C)OS([O-])(=O)=O |r,c:22|
Show InChI InChI=1S/C31H48O6S/c1-21(11-13-24-19-25(32)14-15-27(24)33)9-7-10-23(3)28(37-38(34,35)36)20-26-22(2)12-16-29-30(4,5)17-8-18-31(26,29)6/h11-12,14-15,19,23,26,28-29,32-33H,7-10,13,16-18,20H2,1-6H3,(H,34,35,36)/p-1/b21-11+/t23-,26+,28-,29+,31-/m1/s1
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n/an/a 900n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human reticulocyte 15-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50150784
PNG
(3,4,6,8-Tetrabromo-dibenzo[1,4]dioxin-1-ol | CHEMB...)
Show SMILES Oc1cc(Br)c(Br)c2Oc3c(Br)cc(Br)cc3Oc12
Show InChI InChI=1S/C12H4Br4O3/c13-4-1-6(15)10-8(2-4)18-11-7(17)3-5(14)9(16)12(11)19-10/h1-3,17H
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n/an/a 900n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory effect on human reticulocyte 15-lipoxygenase


J Med Chem 47: 4060-5 (2004)


Article DOI: 10.1021/jm049872s
BindingDB Entry DOI: 10.7270/Q2SX6CPV
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50269763
PNG
((+)-(5S,8S,10S)-20-methoxy-9,15-ene-puupehenol | C...)
Show SMILES COc1cc2C=C3[C@H](CC[C@H]4C(C)(C)CCC[C@]34C)Oc2cc1O |r,c:5|
Show InChI InChI=1S/C21H28O3/c1-20(2)8-5-9-21(3)14-10-13-11-18(23-4)15(22)12-17(13)24-16(14)6-7-19(20)21/h10-12,16,19,22H,5-9H2,1-4H3/t16-,19-,21+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human reticulocyte 15-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50240937
PNG
((-)-jaspic acid | 4-Hydroxy-3-[(1S,4aS,5R,8aS)-2,5...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]1([#6])[#6]-[#6]-[#6][C@]2([#6])[#6@@H](-[#6]-c3cc(ccc3-[#8])-[#6](-[#8])=O)-[#6](-[#6])=[#6]-[#6]-[#6@@H]12 |r,c:27|
Show InChI InChI=1S/C27H38O3/c1-18(2)8-6-13-26(4)14-7-15-27(5)22(19(3)9-12-24(26)27)17-21-16-20(25(29)30)10-11-23(21)28/h8-11,16,22,24,28H,6-7,12-15,17H2,1-5H3,(H,29,30)/t22-,24-,26-,27+/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human reticulocyte 15-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50242010
PNG
((+)-(5S,8S,9R,10S)-20-methoxypuupehenone | CHEMBL4...)
Show SMILES COC1=CC2=C[C@H]3[C@](C)(CC[C@H]4C(C)(C)CCC[C@]34C)OC2=CC1=O |r,c:24,t:2,4|
Show InChI InChI=1S/C22H30O3/c1-20(2)8-6-9-21(3)18(20)7-10-22(4)19(21)12-14-11-17(24-5)15(23)13-16(14)25-22/h11-13,18-19H,6-10H2,1-5H3/t18-,19+,21-,22-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human reticulocyte 15-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50150785
PNG
(2,3,4,5-Tetrabromo-6-(2,4-dibromo-phenoxy)-phenol ...)
Show SMILES Oc1c(Br)c(Br)c(Br)c(Br)c1Oc1ccc(Br)cc1Br
Show InChI InChI=1S/C12H4Br6O2/c13-4-1-2-6(5(14)3-4)20-12-10(18)8(16)7(15)9(17)11(12)19/h1-3,19H
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory effect on human reticulocyte 15-lipoxygenase


J Med Chem 47: 4060-5 (2004)


Article DOI: 10.1021/jm049872s
BindingDB Entry DOI: 10.7270/Q2SX6CPV
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50150794
PNG
(CHEMBL186752 | N-[2-(3-Bromo-4-hydroxy-phenyl)-eth...)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(Oc3cc(CC(N=O)C(=O)NC=Cc4ccc(O)c(Br)c4)cc(Br)c3O)c(Br)c2)N=O)cc1Br |w:29.29|
Show InChI InChI=1S/C34H27Br5N4O8/c35-21-9-17(1-3-28(21)44)5-7-40-33(47)26(42-49)14-19-12-24(38)32(25(39)13-19)51-30-16-20(11-23(37)31(30)46)15-27(43-50)34(48)41-8-6-18-2-4-29(45)22(36)10-18/h1-4,6,8-13,16,26-27,44-46H,5,7,14-15H2,(H,40,47)(H,41,48)
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory effect on human reticulocyte 15-lipoxygenase


J Med Chem 47: 4060-5 (2004)


Article DOI: 10.1021/jm049872s
BindingDB Entry DOI: 10.7270/Q2SX6CPV
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50114097
PNG
(4-[4-(2,2-dimethylbenzo[d][1,3]dioxol-5-yl)-2,3-di...)
Show SMILES C[C@@H](Cc1ccc2OC(C)(C)Oc2c1)[C@H](C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C21H26O4/c1-13(9-15-5-7-17(22)18(23)11-15)14(2)10-16-6-8-19-20(12-16)25-21(3,4)24-19/h5-8,11-14,22-23H,9-10H2,1-4H3/t13-,14+/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against human platelet 12-lipoxygenase (12-HLO)


J Med Chem 45: 2659-61 (2002)


BindingDB Entry DOI: 10.7270/Q2GT5NWN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50150788
PNG
(2,3,5-tribromo-6-(3,5-dibromo-2-hydroxy-phenoxy)-p...)
Show SMILES Oc1c(Br)cc(Br)cc1Oc1c(O)c(Br)c(Br)cc1Br
Show InChI InChI=1S/C12H5Br5O3/c13-4-1-6(15)10(18)8(2-4)20-12-7(16)3-5(14)9(17)11(12)19/h1-3,18-19H
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory effect on human reticulocyte 15-lipoxygenase


J Med Chem 47: 4060-5 (2004)


Article DOI: 10.1021/jm049872s
BindingDB Entry DOI: 10.7270/Q2SX6CPV
More data for this
Ligand-Target Pair
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