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Compile Data Set for Download or QSAR

Found 383 hits of ic50 data for polymerid = 5792   
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 ALOX12


(Homo sapiens (Human))
BDBM50577453
PNG
(CHEMBL4869861)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3c(ccc4ccccc34)s2)c1O
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n/an/a 50n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type human N-terminal His-tagged 12-LOX using arachidonic acid as substrate by UV-Vis spectroscopy analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116347
BindingDB Entry DOI: 10.7270/Q28W3J35
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50009004
PNG
((phenidone)1-Phenyl-pyrazolidin-3-one | 1-Phenyl-p...)
Show SMILES O=C1CCN(N1)c1ccccc1
Show InChI InChI=1S/C9H10N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)
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n/an/a 100n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of 12-LO human platelet


J Med Chem 39: 3938-50 (1996)


Article DOI: 10.1021/jm960372b
BindingDB Entry DOI: 10.7270/Q2GQ6WWW
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50009004
PNG
((phenidone)1-Phenyl-pyrazolidin-3-one | 1-Phenyl-p...)
Show SMILES O=C1CCN(N1)c1ccccc1
Show InChI InChI=1S/C9H10N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human platelet 12-lipoxygenase was evaluated


Bioorg Med Chem Lett 2: 1353-1356 (1992)


Article DOI: 10.1016/S0960-894X(00)80511-9
BindingDB Entry DOI: 10.7270/Q2H41RC2
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(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



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human platelet-type 12-lipoxygenase


J Med Chem 54: 5485-97 (2011)


Article DOI: 10.1021/jm2005089
BindingDB Entry DOI: 10.7270/Q25T3KVT
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(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
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447181
PNG
(CHEMBL3113197 | US10752581, Compound 67)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2cccc(c2)C(C)C)c1O
Show InChI InChI=1S/C23H26N2O4S/c1-16(2)17-6-4-8-20(14-17)25-30(27,28)21-12-10-19(11-13-21)24-15-18-7-5-9-22(29-3)23(18)26/h4-14,16,24-26H,15H2,1-3H3
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n/an/a 160n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


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


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447181
PNG
(CHEMBL3113197 | US10752581, Compound 67)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2cccc(c2)C(C)C)c1O
Show InChI InChI=1S/C23H26N2O4S/c1-16(2)17-6-4-8-20(14-17)25-30(27,28)21-12-10-19(11-13-21)24-15-18-7-5-9-22(29-3)23(18)26/h4-14,16,24-26H,15H2,1-3H3
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n/an/a 160n/an/an/an/an/an/a



Eastern Virginia Medical School; The Regents of the University of California Santa; The United States of America Department of Health; Thomas Jefferson University

US Patent


Assay Description
UV-vis cuvette-based assay.


US Patent US10752581 (2020)


BindingDB Entry DOI: 10.7270/Q2C82DB0
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447202
PNG
(CHEMBL3113193 | US10752581, Compound 63)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc(cs2)-c2ccccc2)c1O
Show InChI InChI=1S/C23H21N3O4S2/c1-30-21-9-5-8-17(22(21)27)14-24-18-10-12-19(13-11-18)32(28,29)26-23-25-20(15-31-23)16-6-3-2-4-7-16/h2-13,15,24,27H,14H2,1H3,(H,25,26)
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National Institutes of Health

Curated by ChEMBL


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


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(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
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447202
PNG
(CHEMBL3113193 | US10752581, Compound 63)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc(cs2)-c2ccccc2)c1O
Show InChI InChI=1S/C23H21N3O4S2/c1-30-21-9-5-8-17(22(21)27)14-24-18-10-12-19(13-11-18)32(28,29)26-23-25-20(15-31-23)16-6-3-2-4-7-16/h2-13,15,24,27H,14H2,1H3,(H,25,26)
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n/an/a 180n/an/an/an/an/an/a



Eastern Virginia Medical School; The Regents of the University of California Santa; The United States of America Department of Health; Thomas Jefferson University

US Patent


Assay Description
UV-vis cuvette-based assay.


US Patent US10752581 (2020)


BindingDB Entry DOI: 10.7270/Q2C82DB0
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(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
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447180
PNG
(CHEMBL3113198 | US10752581, Compound 68)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccc(F)cc3s2)c1O
Show InChI InChI=1S/C21H18FN3O4S2/c1-29-18-4-2-3-13(20(18)26)12-23-15-6-8-16(9-7-15)31(27,28)25-21-24-17-10-5-14(22)11-19(17)30-21/h2-11,23,26H,12H2,1H3,(H,24,25)
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n/an/a 220n/an/an/an/an/an/a



Eastern Virginia Medical School; The Regents of the University of California Santa; The United States of America Department of Health; Thomas Jefferson University

US Patent


Assay Description
UV-vis cuvette-based assay.


US Patent US10752581 (2020)


BindingDB Entry DOI: 10.7270/Q2C82DB0
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447180
PNG
(CHEMBL3113198 | US10752581, Compound 68)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccc(F)cc3s2)c1O
Show InChI InChI=1S/C21H18FN3O4S2/c1-29-18-4-2-3-13(20(18)26)12-23-15-6-8-16(9-7-15)31(27,28)25-21-24-17-10-5-14(22)11-19(17)30-21/h2-11,23,26H,12H2,1H3,(H,24,25)
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n/an/a 220n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


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


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447184
PNG
(CHEMBL3113169 | US10752581, Compound 39)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3c(C)cccc3s2)c1O
Show InChI InChI=1S/C22H21N3O4S2/c1-14-5-3-8-19-20(14)24-22(30-19)25-31(27,28)17-11-9-16(10-12-17)23-13-15-6-4-7-18(29-2)21(15)26/h3-12,23,26H,13H2,1-2H3,(H,24,25)
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n/an/a 240n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


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


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447184
PNG
(CHEMBL3113169 | US10752581, Compound 39)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3c(C)cccc3s2)c1O
Show InChI InChI=1S/C22H21N3O4S2/c1-14-5-3-8-19-20(14)24-22(30-19)25-31(27,28)17-11-9-16(10-12-17)23-13-15-6-4-7-18(29-2)21(15)26/h3-12,23,26H,13H2,1-2H3,(H,24,25)
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n/an/a 240n/an/an/an/an/an/a



Eastern Virginia Medical School; The Regents of the University of California Santa; The United States of America Department of Health; Thomas Jefferson University

US Patent


Assay Description
UV-vis cuvette-based assay.


US Patent US10752581 (2020)


BindingDB Entry DOI: 10.7270/Q2C82DB0
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447182
PNG
(CHEMBL3113192 | US10752581, Compound 62)
Show SMILES COc1ccc2nc(NS(=O)(=O)c3ccc(NCc4cccc(OC)c4O)cc3)sc2c1
Show InChI InChI=1S/C22H21N3O5S2/c1-29-16-8-11-18-20(12-16)31-22(24-18)25-32(27,28)17-9-6-15(7-10-17)23-13-14-4-3-5-19(30-2)21(14)26/h3-12,23,26H,13H2,1-2H3,(H,24,25)
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n/an/a 260n/an/an/an/an/an/a



Eastern Virginia Medical School; The Regents of the University of California Santa; The United States of America Department of Health; Thomas Jefferson University

US Patent


Assay Description
UV-vis cuvette-based assay.


US Patent US10752581 (2020)


BindingDB Entry DOI: 10.7270/Q2C82DB0
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(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
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447182
PNG
(CHEMBL3113192 | US10752581, Compound 62)
Show SMILES COc1ccc2nc(NS(=O)(=O)c3ccc(NCc4cccc(OC)c4O)cc3)sc2c1
Show InChI InChI=1S/C22H21N3O5S2/c1-29-16-8-11-18-20(12-16)31-22(24-18)25-32(27,28)17-9-6-15(7-10-17)23-13-14-4-3-5-19(30-2)21(14)26/h3-12,23,26H,13H2,1-2H3,(H,24,25)
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n/an/a 260n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


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


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM106776
PNG
(3‐(3‐chlorophenyl)‐6,7‐dih...)
Show SMILES Oc1cc2occ(-c3cccc(Cl)c3)c(=O)c2cc1O
Show InChI InChI=1S/C15H9ClO4/c16-9-3-1-2-8(4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,17-18H
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n/an/a 280n/an/an/an/a8.023



Universidad de Santiago de Chile



Assay Description
All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un...


Chem Biol Drug Des 82: 317-25 (2013)


Article DOI: 10.1111/cbdd.12157
BindingDB Entry DOI: 10.7270/Q2PZ57F3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(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
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447213
PNG
(CHEMBL3113180)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2ccc3ccccc3c2)c1O
Show InChI InChI=1S/C24H22N2O4S/c1-30-23-8-4-7-19(24(23)27)16-25-20-11-13-22(14-12-20)31(28,29)26-21-10-9-17-5-2-3-6-18(17)15-21/h2-15,25-27H,16H2,1H3
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n/an/a 330n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


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


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447220
PNG
(CHEMBL3113170 | US10752581, Compound 50)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc(C)cs2)c1O
Show InChI InChI=1S/C18H19N3O4S2/c1-12-11-26-18(20-12)21-27(23,24)15-8-6-14(7-9-15)19-10-13-4-3-5-16(25-2)17(13)22/h3-9,11,19,22H,10H2,1-2H3,(H,20,21)
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n/an/a 330n/an/an/an/an/an/a



Eastern Virginia Medical School; The Regents of the University of California Santa; The United States of America Department of Health; Thomas Jefferson University

US Patent


Assay Description
UV-vis cuvette-based assay.


US Patent US10752581 (2020)


BindingDB Entry DOI: 10.7270/Q2C82DB0
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447175
PNG
(CHEMBL3113165 | US10752581, Compound 35)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccccc3s2)c1O
Show InChI InChI=1S/C21H19N3O4S2/c1-28-18-7-4-5-14(20(18)25)13-22-15-9-11-16(12-10-15)30(26,27)24-21-23-17-6-2-3-8-19(17)29-21/h2-12,22,25H,13H2,1H3,(H,23,24)
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n/an/a 340n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


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


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447175
PNG
(CHEMBL3113165 | US10752581, Compound 35)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccccc3s2)c1O
Show InChI InChI=1S/C21H19N3O4S2/c1-28-18-7-4-5-14(20(18)25)13-22-15-9-11-16(12-10-15)30(26,27)24-21-23-17-6-2-3-8-19(17)29-21/h2-12,22,25H,13H2,1H3,(H,23,24)
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n/an/a 340n/an/an/an/an/an/a



Eastern Virginia Medical School; The Regents of the University of California Santa; The United States of America Department of Health; Thomas Jefferson University

US Patent


Assay Description
UV-vis cuvette-based assay.


US Patent US10752581 (2020)


BindingDB Entry DOI: 10.7270/Q2C82DB0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447221
PNG
(CHEMBL3113168 | US10752581, Compound 38)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2cccs2)c1O
Show InChI InChI=1S/C18H18N2O4S2/c1-24-16-5-2-4-13(18(16)21)12-19-14-7-9-15(10-8-14)26(22,23)20-17-6-3-11-25-17/h2-11,19-21H,12H2,1H3
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n/an/a 350n/an/an/an/an/an/a



Eastern Virginia Medical School; The Regents of the University of California Santa; The United States of America Department of Health; Thomas Jefferson University

US Patent


Assay Description
UV-vis cuvette-based assay.


US Patent US10752581 (2020)


BindingDB Entry DOI: 10.7270/Q2C82DB0
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447221
PNG
(CHEMBL3113168 | US10752581, Compound 38)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2cccs2)c1O
Show InChI InChI=1S/C18H18N2O4S2/c1-24-16-5-2-4-13(18(16)21)12-19-14-7-9-15(10-8-14)26(22,23)20-17-6-3-11-25-17/h2-11,19-21H,12H2,1H3
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n/an/a 350n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


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


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(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
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447175
PNG
(CHEMBL3113165 | US10752581, Compound 35)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccccc3s2)c1O
Show InChI InChI=1S/C21H19N3O4S2/c1-28-18-7-4-5-14(20(18)25)13-22-15-9-11-16(12-10-15)30(26,27)24-21-23-17-6-2-3-8-19(17)29-21/h2-12,22,25H,13H2,1H3,(H,23,24)
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n/an/a 360n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type human N-terminal His-tagged 12-LOX using arachidonic acid as substrate by UV-Vis spectroscopy analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116347
BindingDB Entry DOI: 10.7270/Q28W3J35
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polyunsaturated fatty acid lipoxygenase ALOX12


(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
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447203
PNG
(CHEMBL3113191 | US10752581, Compound 61)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2cccc(c2)C(C)(C)C)c1O
Show InChI InChI=1S/C24H28N2O4S/c1-24(2,3)18-8-6-9-20(15-18)26-31(28,29)21-13-11-19(12-14-21)25-16-17-7-5-10-22(30-4)23(17)27/h5-15,25-27H,16H2,1-4H3
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n/an/a 390n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


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


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447203
PNG
(CHEMBL3113191 | US10752581, Compound 61)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2cccc(c2)C(C)(C)C)c1O
Show InChI InChI=1S/C24H28N2O4S/c1-24(2,3)18-8-6-9-20(15-18)26-31(28,29)21-13-11-19(12-14-21)25-16-17-7-5-10-22(30-4)23(17)27/h5-15,25-27H,16H2,1-4H3
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n/an/a 390n/an/an/an/an/an/a



Eastern Virginia Medical School; The Regents of the University of California Santa; The United States of America Department of Health; Thomas Jefferson University

US Patent


Assay Description
UV-vis cuvette-based assay.


US Patent US10752581 (2020)


BindingDB Entry DOI: 10.7270/Q2C82DB0
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(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
Polyunsaturated fatty acid lipoxygenase ALOX12


(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
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50042498
PNG
(CHEMBL333219 | N-{[6-(4-fluorophenoxy)-2H-chromen-...)
Show SMILES CNC(=O)N(O)CC1=Cc2cc(Oc3ccc(F)cc3)ccc2OC1 |t:7|
Show InChI InChI=1S/C18H17FN2O4/c1-20-18(22)21(23)10-12-8-13-9-16(6-7-17(13)24-11-12)25-15-4-2-14(19)3-5-15/h2-9,23H,10-11H2,1H3,(H,20,22)
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n/an/a 410n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration against human platelet 12-lipoxygenase


J Med Chem 36: 3580-94 (1994)


BindingDB Entry DOI: 10.7270/Q29G5KVC
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(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
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 440n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50222293
PNG
(4'-chloro-7,8-dihydroxyisoflavone | CHEMBL241814)
Show SMILES Oc1ccc2c(occ(-c3ccc(Cl)cc3)c2=O)c1O
Show InChI InChI=1S/C15H9ClO4/c16-9-3-1-8(2-4-9)11-7-20-15-10(13(11)18)5-6-12(17)14(15)19/h1-7,17,19H
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n/an/a 480n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447216
PNG
(CHEMBL3113176 | US10752581, Compound 46)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2cnc3ccccc3c2)c1O
Show InChI InChI=1S/C23H21N3O4S/c1-30-22-8-4-6-17(23(22)27)14-24-18-9-11-20(12-10-18)31(28,29)26-19-13-16-5-2-3-7-21(16)25-15-19/h2-13,15,24,26-27H,14H2,1H3
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n/an/a 480n/an/an/an/an/an/a



Eastern Virginia Medical School; The Regents of the University of California Santa; The United States of America Department of Health; Thomas Jefferson University

US Patent


Assay Description
UV-vis cuvette-based assay.


US Patent US10752581 (2020)


BindingDB Entry DOI: 10.7270/Q2C82DB0
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447216
PNG
(CHEMBL3113176 | US10752581, Compound 46)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2cnc3ccccc3c2)c1O
Show InChI InChI=1S/C23H21N3O4S/c1-30-22-8-4-6-17(23(22)27)14-24-18-9-11-20(12-10-18)31(28,29)26-19-13-16-5-2-3-7-21(16)25-15-19/h2-13,15,24,26-27H,14H2,1H3
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n/an/a 480n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


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


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447183
PNG
(CHEMBL3113178 | US10752581, Compound 48)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2ccccc2)c1O
Show InChI InChI=1S/C20H20N2O4S/c1-26-19-9-5-6-15(20(19)23)14-21-16-10-12-18(13-11-16)27(24,25)22-17-7-3-2-4-8-17/h2-13,21-23H,14H2,1H3
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n/an/a 500n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


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


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447183
PNG
(CHEMBL3113178 | US10752581, Compound 48)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2ccccc2)c1O
Show InChI InChI=1S/C20H20N2O4S/c1-26-19-9-5-6-15(20(19)23)14-21-16-10-12-18(13-11-16)27(24,25)22-17-7-3-2-4-8-17/h2-13,21-23H,14H2,1H3
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n/an/a 500n/an/an/an/an/an/a



Eastern Virginia Medical School; The Regents of the University of California Santa; The United States of America Department of Health; Thomas Jefferson University

US Patent


Assay Description
UV-vis cuvette-based assay.


US Patent US10752581 (2020)


BindingDB Entry DOI: 10.7270/Q2C82DB0
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447214
PNG
(CHEMBL3113179 | US10752581, Compound 49)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2cccc3ccccc23)c1O
Show InChI InChI=1S/C24H22N2O4S/c1-30-23-11-5-8-18(24(23)27)16-25-19-12-14-20(15-13-19)31(28,29)26-22-10-4-7-17-6-2-3-9-21(17)22/h2-15,25-27H,16H2,1H3
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National Institutes of Health

Curated by ChEMBL


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


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447214
PNG
(CHEMBL3113179 | US10752581, Compound 49)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2cccc3ccccc23)c1O
Show InChI InChI=1S/C24H22N2O4S/c1-30-23-11-5-8-18(24(23)27)16-25-19-12-14-20(15-13-19)31(28,29)26-22-10-4-7-17-6-2-3-9-21(17)22/h2-15,25-27H,16H2,1H3
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n/an/a 510n/an/an/an/an/an/a



Eastern Virginia Medical School; The Regents of the University of California Santa; The United States of America Department of Health; Thomas Jefferson University

US Patent


Assay Description
UV-vis cuvette-based assay.


US Patent US10752581 (2020)


BindingDB Entry DOI: 10.7270/Q2C82DB0
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447177
PNG
(CHEMBL3113167 | US10752581, Compound 37)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccccc3[nH]2)c1O
Show InChI InChI=1S/C21H20N4O4S/c1-29-19-8-4-5-14(20(19)26)13-22-15-9-11-16(12-10-15)30(27,28)25-21-23-17-6-2-3-7-18(17)24-21/h2-12,22,26H,13H2,1H3,(H2,23,24,25)
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n/an/a 570n/an/an/an/an/an/a



Eastern Virginia Medical School; The Regents of the University of California Santa; The United States of America Department of Health; Thomas Jefferson University

US Patent


Assay Description
UV-vis cuvette-based assay.


US Patent US10752581 (2020)


BindingDB Entry DOI: 10.7270/Q2C82DB0
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447177
PNG
(CHEMBL3113167 | US10752581, Compound 37)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccccc3[nH]2)c1O
Show InChI InChI=1S/C21H20N4O4S/c1-29-19-8-4-5-14(20(19)26)13-22-15-9-11-16(12-10-15)30(27,28)25-21-23-17-6-2-3-7-18(17)24-21/h2-12,22,26H,13H2,1H3,(H2,23,24,25)
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n/an/a 570n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


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


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(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
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50222308
PNG
(7,8-dihydroxy-30-trifluoromethylisoflavone | CHEMB...)
Show SMILES Oc1ccc2c(occ(-c3cccc(c3)C(F)(F)F)c2=O)c1O
Show InChI InChI=1S/C16H9F3O4/c17-16(18,19)9-3-1-2-8(6-9)11-7-23-15-10(13(11)21)4-5-12(20)14(15)22/h1-7,20,22H
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n/an/a 620n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50042493
PNG
(CGS-23885 | CHEMBL116719 | N-hydroxy-N-[(6-phenoxy...)
Show SMILES NC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1 |t:6|
Show InChI InChI=1S/C17H16N2O4/c18-17(20)19(21)10-12-8-13-9-15(6-7-16(13)22-11-12)23-14-4-2-1-3-5-14/h1-9,21H,10-11H2,(H2,18,20)
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n/an/a 640n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration against human platelet 12-lipoxygenase


J Med Chem 36: 3580-94 (1994)


BindingDB Entry DOI: 10.7270/Q29G5KVC
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447215
PNG
(CHEMBL3113177 | US10752581, Compound 47)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2cccc3ccncc23)c1O
Show InChI InChI=1S/C23H21N3O4S/c1-30-22-7-3-5-17(23(22)27)14-25-18-8-10-19(11-9-18)31(28,29)26-21-6-2-4-16-12-13-24-15-20(16)21/h2-13,15,25-27H,14H2,1H3
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n/an/a 700n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


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


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(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
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