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Compile Data Set for Download or QSAR

Found 301 hits of ic50 data for polymerid = 5792   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
12-Lipoxygenase (12-LOX)


(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)

More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(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)

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 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)

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)

More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50447181
PNG
(CHEMBL3113197)
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)

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)

More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50447202
PNG
(CHEMBL3113193)
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



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)

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)

More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50447180
PNG
(CHEMBL3113198)
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)

More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50447184
PNG
(CHEMBL3113169)
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)

More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50447182
PNG
(CHEMBL3113192)
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)

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
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)

More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(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)

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
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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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)

More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(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)

More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50447175
PNG
(CHEMBL3113165)
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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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)

More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50447221
PNG
(CHEMBL3113168)
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)

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)

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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University of California

Curated by ChEMBL


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


J Med Chem 45: 2659-61 (2002)

More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50447203
PNG
(CHEMBL3113191)
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)

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
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)

More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50042498
PNG
(CHEMBL333219 | N-{[6-(4-fluorophenoxy)-2H-chromen-...)
Show SMILES CNC(=O)N(O)CC1=Cc2cc(Oc3ccc(F)cc3)ccc2OC1
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)

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)

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)

More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(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)

More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(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)

More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50447216
PNG
(CHEMBL3113176)
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)

More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50447183
PNG
(CHEMBL3113178)
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)

More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50447214
PNG
(CHEMBL3113179)
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



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)

More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50447177
PNG
(CHEMBL3113167)
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)

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 COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C
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)

More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(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)

More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50042493
PNG
(CGS-23885 | CHEMBL116719 | N-hydroxy-N-[(6-phenoxy...)
Show SMILES NC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1
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)

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)

More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50447215
PNG
(CHEMBL3113177)
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)

More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50447200
PNG
(CHEMBL3113195)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2cccc(c2)C2CCN(CC2)C(=O)OC(C)(C)C)c1O
Show InChI InChI=1S/C30H37N3O6S/c1-30(2,3)39-29(35)33-17-15-21(16-18-33)22-7-5-9-25(19-22)32-40(36,37)26-13-11-24(12-14-26)31-20-23-8-6-10-27(38-4)28(23)34/h5-14,19,21,31-32,34H,15-18,20H2,1-4H3
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n/an/a 760n/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)

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
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)

More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50222290
PNG
(3'-chloro-7,8-dihydroxyisoflavone | CHEMBL241815 |...)
Show SMILES Oc1ccc2c(occ(-c3cccc(Cl)c3)c2=O)c1O
Show InChI InChI=1S/C15H9ClO4/c16-9-3-1-2-8(6-9)11-7-20-15-10(13(11)18)4-5-12(17)14(15)19/h1-7,17,19H
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n/an/a 780n/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)

More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50447176
PNG
(CHEMBL3113166)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccccc3o2)c1O
Show InChI InChI=1S/C21H19N3O5S/c1-28-19-8-4-5-14(20(19)25)13-22-15-9-11-16(12-10-15)30(26,27)24-21-23-17-6-2-3-7-18(17)29-21/h2-12,22,25H,13H2,1H3,(H,23,24)
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n/an/a 790n/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)

More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM47298
PNG
(BDBM64616 | US9023354, AD4-10960)
Show SMILES CCC(=O)NC(c1cccs1)c1cc([N+]([O-])=O)c2cccnc2c1O
Show InChI InChI=1/C17H15N3O4S/c1-2-14(21)19-15(13-6-4-8-25-13)11-9-12(20(23)24)10-5-3-7-18-16(10)17(11)22/h3-9,15,22H,2H2,1H3,(H,19,21)
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n/an/a 800n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human platelet-type N-terminally His6-tagged 12-lipoxygenase assessed as conjugated diene product formation using arachidonic acid by U...


J Med Chem 54: 5485-97 (2011)

More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50009001
PNG
(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
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n/an/a 860n/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)

More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
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n/an/a 950n/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)

More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50350394
PNG
(CHEMBL528045)
Show SMILES CC(=O)NC(c1cccs1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C16H13ClN2O2S/c1-9(20)19-14(13-5-3-7-22-13)11-8-12(17)10-4-2-6-18-15(10)16(11)21/h2-8,14,21H,1H3,(H,19,20)
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n/an/a 1.00E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human platelet-type N-terminally His6-tagged 12-lipoxygenase assessed as conjugated diene product formation using arachidonic acid by U...


J Med Chem 54: 5485-97 (2011)

More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM64674
PNG
(MLS000713956 | N-[(5-chloranyl-8-oxidanyl-quinolin...)
Show SMILES CCC(=O)NC(c1ccco1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C17H15ClN2O3/c1-2-14(21)20-15(13-6-4-8-23-13)11-9-12(18)10-5-3-7-19-16(10)17(11)22/h3-9,15,22H,2H2,1H3,(H,20,21)
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n/an/a 1.00E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human platelet-type N-terminally His6-tagged 12-lipoxygenase assessed as conjugated diene product formation using arachidonic acid by U...


J Med Chem 54: 5485-97 (2011)

More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50025735
PNG
((5Z,8Z,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic a...)
Show SMILES CCCCCC(=O)C=CC=CC\C=C/C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9?,17-14?
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human platelet 12-lipoxygenase by UV-visible spectrophotometry


Bioorg Med Chem 22: 4293-7 (2014)

More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50447199
PNG
(CHEMBL3113196)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2cccc(c2)C2CCNCC2)c1O
Show InChI InChI=1S/C25H29N3O4S/c1-32-24-7-3-5-20(25(24)29)17-27-21-8-10-23(11-9-21)33(30,31)28-22-6-2-4-19(16-22)18-12-14-26-15-13-18/h2-11,16,18,26-29H,12-15,17H2,1H3
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n/an/a 1.10E+3n/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)

More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50350405
PNG
(CHEMBL1531895)
Show SMILES CCC(=O)NC(C(C)C)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C16H19ClN2O2/c1-4-13(20)19-14(9(2)3)11-8-12(17)10-6-5-7-18-15(10)16(11)21/h5-9,14,21H,4H2,1-3H3,(H,19,20)
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n/an/a 1.20E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human platelet-type N-terminally His6-tagged 12-lipoxygenase assessed as conjugated diene product formation using arachidonic acid by U...


J Med Chem 54: 5485-97 (2011)

More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50350398
PNG
(CHEMBL1532739)
Show SMILES CCC(=O)NC(c1ccco1)c1cc([N+]([O-])=O)c2cccnc2c1O
Show InChI InChI=1S/C17H15N3O5/c1-2-14(21)19-15(13-6-4-8-25-13)11-9-12(20(23)24)10-5-3-7-18-16(10)17(11)22/h3-9,15,22H,2H2,1H3,(H,19,21)
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n/an/a 1.20E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human platelet-type N-terminally His6-tagged 12-lipoxygenase assessed as conjugated diene product formation using arachidonic acid by U...


J Med Chem 54: 5485-97 (2011)

More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50447212
PNG
(CHEMBL3113181)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2ccc(cc2)-c2ccccc2)c1O
Show InChI InChI=1S/C26H24N2O4S/c1-32-25-9-5-8-21(26(25)29)18-27-22-14-16-24(17-15-22)33(30,31)28-23-12-10-20(11-13-23)19-6-3-2-4-7-19/h2-17,27-29H,18H2,1H3
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n/an/a 1.30E+3n/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)

More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50447179
PNG
(CHEMBL3113201)
Show SMILES Oc1c(Cl)cccc1CNc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C20H16ClN3O3S2/c21-16-5-3-4-13(19(16)25)12-22-14-8-10-15(11-9-14)29(26,27)24-20-23-17-6-1-2-7-18(17)28-20/h1-11,22,25H,12H2,(H,23,24)
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n/an/a 1.30E+3n/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)

More data for this
Ligand-Target Pair
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