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Compile Data Set for Download or QSAR

Found 150 hits of ic50 data for polymerid = 50001608,50001908   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Polyunsaturated fatty acid lipoxygenase ALOX15


(Rattus norvegicus)		BDBM50011938
PNG
(2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 2-th...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OCCc2cccs2)cc1O
Show InChI InChI=1S/C16H13NO4S/c17-10-12(8-11-3-4-14(18)15(19)9-11)16(20)21-6-5-13-2-1-7-22-13/h1-4,7-9,18-19H,5-6H2/b12-8+
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n/an/a 13n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 12-lipoxygenase in rat platelet rich plasma

J Med Chem 34: 1503-5 (1991)


BindingDB Entry DOI: 10.7270/Q22Z14G6
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Rattus norvegicus)		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 15n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 12-lipoxygenase in rat platelet rich plasma

J Med Chem 34: 1503-5 (1991)


BindingDB Entry DOI: 10.7270/Q22Z14G6
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Rattus norvegicus)		BDBM50011932
PNG
(2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid ethy...)
Show SMILES CCOC(=O)C(=C\c1ccc(O)c(O)c1)\C#N
Show InChI InChI=1S/C12H11NO4/c1-2-17-12(16)9(7-13)5-8-3-4-10(14)11(15)6-8/h3-6,14-15H,2H2,1H3/b9-5+
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n/an/a 33n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 12-lipoxygenase in rat platelet rich plasma

J Med Chem 34: 1503-5 (1991)


BindingDB Entry DOI: 10.7270/Q22Z14G6
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Sus scrofa)		BDBM50054838
PNG
(3-(4-Tridec-2-ynyloxymethyl-phenyl)-propionic acid...)
Show SMILES CCCCCCCCCCC#CCOCc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C23H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-19-26-20-22-15-13-21(14-16-22)17-18-23(24)25/h13-16H,2-10,17-20H2,1H3,(H,24,25)
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n/an/a 35n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibitory activity against conversion of [1-14C]-arachidonic acid to 12-HPETE and its reduction product 12-HETE by porcine leukocyte type 12-lipoxyg...

J Med Chem 39: 4871-8 (1997)


Article DOI: 10.1021/jm9606047
BindingDB Entry DOI: 10.7270/Q2BR8R81
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Polyunsaturated fatty acid lipoxygenase ALOX15


(Sus scrofa)		BDBM50054833
PNG
(3-{4-[((E)-Tridec-2-enyl)oxymethyl]-phenyl}-propio...)
Show SMILES CCCCCCCCCC\C=C\COCc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C23H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-19-26-20-22-15-13-21(14-16-22)17-18-23(24)25/h11-16H,2-10,17-20H2,1H3,(H,24,25)/b12-11+
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n/an/a 40n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibitory activity against conversion of [1-14C]-arachidonic acid to 12-HPETE and its reduction product 12-HETE by porcine leukocyte type 12-lipoxyg...

J Med Chem 39: 4871-8 (1997)


Article DOI: 10.1021/jm9606047
BindingDB Entry DOI: 10.7270/Q2BR8R81
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Sus scrofa)		BDBM50054836
PNG
((4-Tridec-2-ynyloxymethyl-phenyl)-acetic acid | CH...)
Show SMILES CCCCCCCCCCC#CCOCc1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-17-25-19-21-15-13-20(14-16-21)18-22(23)24/h13-16H,2-10,17-19H2,1H3,(H,23,24)
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n/an/a 50n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibitory activity against conversion of [1-14C]-arachidonic acid to 12-HPETE and its reduction product 12-HETE by porcine leukocyte type 12-lipoxyg...

J Med Chem 39: 4871-8 (1997)


Article DOI: 10.1021/jm9606047
BindingDB Entry DOI: 10.7270/Q2BR8R81
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Rattus norvegicus)		BDBM50011934
PNG
(2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid phen...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OCCc2ccccc2)cc1O
Show InChI InChI=1S/C18H15NO4/c19-12-15(10-14-6-7-16(20)17(21)11-14)18(22)23-9-8-13-4-2-1-3-5-13/h1-7,10-11,20-21H,8-9H2/b15-10+
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n/an/a 51n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 12-lipoxygenase in rat platelet rich plasma

J Med Chem 34: 1503-5 (1991)


BindingDB Entry DOI: 10.7270/Q22Z14G6
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Rattus norvegicus)		BDBM50011930
PNG
(2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 3-ph...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OCCCc2ccccc2)cc1O
Show InChI InChI=1S/C19H17NO4/c20-13-16(11-15-8-9-17(21)18(22)12-15)19(23)24-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,21-22H,4,7,10H2/b16-11+
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n/an/a 53n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 12-lipoxygenase in rat platelet rich plasma

J Med Chem 34: 1503-5 (1991)


BindingDB Entry DOI: 10.7270/Q22Z14G6
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Sus scrofa)		BDBM50054851
PNG
(4-Tridec-2-ynyloxymethyl-benzoic acid | CHEMBL1422...)
Show SMILES CCCCCCCCCCC#CCOCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-17-24-18-19-13-15-20(16-14-19)21(22)23/h13-16H,2-10,17-18H2,1H3,(H,22,23)
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n/an/a 60n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibitory activity against conversion of [1-14C]-arachidonic acid to 12-HPETE and its reduction product 12-HETE by porcine leukocyte type 12-lipoxyg...

J Med Chem 39: 4871-8 (1997)


Article DOI: 10.1021/jm9606047
BindingDB Entry DOI: 10.7270/Q2BR8R81
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Rattus norvegicus)		BDBM50011931
PNG
((2E)‐3‐phenylprop‐2‐enR...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OC\C=C\c2ccccc2)cc1O
Show InChI InChI=1S/C19H15NO4/c20-13-16(11-15-8-9-17(21)18(22)12-15)19(23)24-10-4-7-14-5-2-1-3-6-14/h1-9,11-12,21-22H,10H2/b7-4+,16-11+
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n/an/a 63n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 12-lipoxygenase in rat platelet rich plasma

J Med Chem 34: 1503-5 (1991)


BindingDB Entry DOI: 10.7270/Q22Z14G6
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Rattus norvegicus)		BDBM50011935
PNG
(2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 2-(2...)
Show SMILES COc1ccccc1CCOC(=O)C(=C\c1ccc(O)c(O)c1)\C#N
Show InChI InChI=1S/C19H17NO5/c1-24-18-5-3-2-4-14(18)8-9-25-19(23)15(12-20)10-13-6-7-16(21)17(22)11-13/h2-7,10-11,21-22H,8-9H2,1H3/b15-10+
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n/an/a 64n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 12-lipoxygenase in rat platelet rich plasma

J Med Chem 34: 1503-5 (1991)


BindingDB Entry DOI: 10.7270/Q22Z14G6
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Sus scrofa)		BDBM50109702
PNG
(CHEMBL3604174)
Show SMILES Clc1ccc(NC(=O)c2cn[nH]n2)c(Cl)c1
Show InChI InChI=1S/C9H6Cl2N4O/c10-5-1-2-7(6(11)3-5)13-9(16)8-4-12-15-14-8/h1-4H,(H,13,16)(H,12,14,15)
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n/an/a 78n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of pig 15-LOX-1 expressed in Sf9 cells assessed as reduction in conversion of arachidonic acid to 15-HETE pre-incubated 5 min before arach...

Bioorg Med Chem Lett 25: 3024-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.004
BindingDB Entry DOI: 10.7270/Q2R21350
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Sus scrofa)		BDBM50054840
PNG
(3-(4-Undec-2-ynyloxymethyl-phenyl)-propionic acid ...)
Show SMILES CCCCCCCCC#CCOCc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C21H30O3/c1-2-3-4-5-6-7-8-9-10-17-24-18-20-13-11-19(12-14-20)15-16-21(22)23/h11-14H,2-8,15-18H2,1H3,(H,22,23)
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n/an/a 100n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibitory activity against conversion of [1-14C]-arachidonic acid to 12-HPETE and its reduction product 12-HETE by porcine leukocyte type 12-lipoxyg...

J Med Chem 39: 4871-8 (1997)


Article DOI: 10.1021/jm9606047
BindingDB Entry DOI: 10.7270/Q2BR8R81
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Rattus norvegicus)		BDBM50011937
PNG
(2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 8-(3...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OCCCCCCCCn2ccnc2)cc1O
Show InChI InChI=1S/C21H25N3O4/c22-15-18(13-17-7-8-19(25)20(26)14-17)21(27)28-12-6-4-2-1-3-5-10-24-11-9-23-16-24/h7-9,11,13-14,16,25-26H,1-6,10,12H2/b18-13+
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n/an/a 180n/an/an/an/an/an/a



Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 12-lipoxygenase in rat platelet rich plasma

J Med Chem 34: 1503-5 (1991)


BindingDB Entry DOI: 10.7270/Q22Z14G6
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Sus scrofa)		BDBM50054844
PNG
(3-(4-Tetradeca-2,3-dienyloxymethyl-phenyl)-propion...)
Show SMILES CCCCCCCCCCC=C=CCOCc1ccc(CCC(O)=O)cc1 |(15.31,-23.46,;16.08,-22.13,;15.31,-20.79,;16.08,-19.44,;15.31,-18.11,;16.08,-16.78,;15.31,-15.43,;16.08,-14.1,;15.31,-12.76,;16.08,-11.42,;15.31,-10.09,;13.77,-10.09,;12.23,-10.09,;11.46,-8.76,;9.92,-8.76,;9.15,-7.43,;7.61,-7.43,;6.84,-6.1,;5.28,-6.1,;4.51,-7.43,;2.97,-7.43,;2.2,-8.76,;.66,-8.76,;-.11,-7.43,;-.11,-10.1,;5.28,-8.77,;6.84,-8.77,)|
Show InChI InChI=1S/C24H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-27-21-23-16-14-22(15-17-23)18-19-24(25)26/h11,13-17H,2-10,18-21H2,1H3,(H,25,26)
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n/an/a 280n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibitory activity against conversion of [1-14C]-arachidonic acid to 12-HPETE and its reduction product 12-HETE by porcine leukocyte type 12-lipoxyg...

J Med Chem 39: 4871-8 (1997)


Article DOI: 10.1021/jm9606047
BindingDB Entry DOI: 10.7270/Q2BR8R81
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Rattus norvegicus)		BDBM50016680
PNG
(5-Phenyl-pentanoic acid benzyl-hydroxy-amide | CHE...)
Show SMILES ON(Cc1ccccc1)C(=O)CCCCc1ccccc1
Show InChI InChI=1S/C18H21NO2/c20-18(19(21)15-17-12-5-2-6-13-17)14-8-7-11-16-9-3-1-4-10-16/h1-6,9-10,12-13,21H,7-8,11,14-15H2
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n/an/a 300n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Invitro inhibition of rat platelet 12-lipoxygenase

J Med Chem 32: 1836-42 (1989)


BindingDB Entry DOI: 10.7270/Q2VT1R21
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Sus scrofa)		BDBM469007
PNG
(US10807974, Example 16 | US10995088, Example 16 | ...)
Show SMILES NCc1ccc(s1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)CCO
Show InChI InChI=1S/C13H15NO5S3/c14-9-10-1-6-13(20-10)22(18,19)12-4-2-11(3-5-12)21(16,17)8-7-15/h1-6,15H,7-9,14H2
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n/an/a 300n/an/an/an/an/an/a


TBA

Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.Assay Plates:Black, flat bottom 96 well platesProcedure:1. Dilute LOX en...

Citation and Details

BindingDB Entry DOI: 10.7270/Q25M69MF
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Sus scrofa)		BDBM50054846
PNG
(3-(4-Pentadec-2-ynyloxymethyl-phenyl)-propionic ac...)
Show SMILES CCCCCCCCCCCCC#CCOCc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C25H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-28-22-24-17-15-23(16-18-24)19-20-25(26)27/h15-18H,2-12,19-22H2,1H3,(H,26,27)
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n/an/a 320n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibitory activity against conversion of [1-14C]-arachidonic acid to 12-HPETE and its reduction product 12-HETE by porcine leukocyte type 12-lipoxyg...

J Med Chem 39: 4871-8 (1997)


Article DOI: 10.1021/jm9606047
BindingDB Entry DOI: 10.7270/Q2BR8R81
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Sus scrofa)		BDBM50054832
PNG
(3-(3-Tridec-2-ynyloxymethyl-phenyl)-propionic acid...)
Show SMILES CCCCCCCCCCC#CCOCc1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C23H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-18-26-20-22-15-13-14-21(19-22)16-17-23(24)25/h13-15,19H,2-10,16-18,20H2,1H3,(H,24,25)
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Wayne State University

Curated by ChEMBL


Assay Description
Inhibitory activity against conversion of [1-14C]-arachidonic acid to 12-HPETE and its reduction product 12-HETE by porcine leukocyte type 12-lipoxyg...

J Med Chem 39: 4871-8 (1997)


Article DOI: 10.1021/jm9606047
BindingDB Entry DOI: 10.7270/Q2BR8R81
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Sus scrofa)		BDBM469005
PNG
(US10807974, Example 9 | US10995088, Example 9 | US...)
Show SMILES CS(=O)(=O)c1cccc(c1)S(=O)(=O)c1ccc(CN)s1
Show InChI InChI=1S/C12H13NO4S3/c1-19(14,15)10-3-2-4-11(7-10)20(16,17)12-6-5-9(8-13)18-12/h2-7H,8,13H2,1H3
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TBA

Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.Assay Plates:Black, flat bottom 96 well platesProcedure:1. Dilute LOX en...

Citation and Details

BindingDB Entry DOI: 10.7270/Q25M69MF
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Sus scrofa)		BDBM469011
PNG
(US10807974, Example 27 | US10995088, Example 27 | ...)
Show SMILES CCNCCS(=O)(=O)c1ccc(cc1)S(=O)(=O)c1ccc(CN)s1
Show InChI InChI=1S/C15H20N2O4S3/c1-2-17-9-10-23(18,19)13-4-6-14(7-5-13)24(20,21)15-8-3-12(11-16)22-15/h3-8,17H,2,9-11,16H2,1H3
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Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.Assay Plates:Black, flat bottom 96 well platesProcedure:1. Dilute LOX en...

Citation and Details

BindingDB Entry DOI: 10.7270/Q25M69MF
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Rattus norvegicus)		BDBM50016675
PNG
(CHEMBL55053 | N-Hydroxy-N-phenethyl-4-phenyl-butyr...)
Show SMILES ON(CCc1ccccc1)C(=O)CCCc1ccccc1
Show InChI InChI=1S/C18H21NO2/c20-18(13-7-12-16-8-3-1-4-9-16)19(21)15-14-17-10-5-2-6-11-17/h1-6,8-11,21H,7,12-15H2
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Curated by ChEMBL


Assay Description
Invitro inhibition of rat platelet 12-lipoxygenase

J Med Chem 32: 1836-42 (1989)


BindingDB Entry DOI: 10.7270/Q2VT1R21
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Sus scrofa)		BDBM469032
PNG
(US10807974, Example 43 | US10995088, Example 43 | ...)
Show SMILES NCc1ccc(s1)S(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCC[C@H]1CO |r|
Show InChI InChI=1S/C16H20N2O5S3/c17-10-13-6-7-16(24-13)25(20,21)14-4-1-5-15(9-14)26(22,23)18-8-2-3-12(18)11-19/h1,4-7,9,12,19H,2-3,8,10-11,17H2/t12-/m0/s1
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Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.Assay Plates:Black, flat bottom 96 well platesProcedure:1. Dilute LOX en...

Citation and Details

BindingDB Entry DOI: 10.7270/Q25M69MF
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Sus scrofa)		BDBM469023
PNG
(US10807974, Example 39 | US10995088, Example 39 | ...)
Show SMILES NCc1ccc(s1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)CCCO
Show InChI InChI=1S/C14H17NO5S3/c15-10-11-2-7-14(21-11)23(19,20)13-5-3-12(4-6-13)22(17,18)9-1-8-16/h2-7,16H,1,8-10,15H2
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Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.Assay Plates:Black, flat bottom 96 well platesProcedure:1. Dilute LOX en...

Citation and Details

BindingDB Entry DOI: 10.7270/Q25M69MF
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Sus scrofa)		BDBM469019
PNG
(US10807974, Example 35 | US10995088, Example 35 | ...)
Show SMILES NCc1ccc(s1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)CCN1CCCNCC1
Show InChI InChI=1S/C18H25N3O4S3/c19-14-15-2-7-18(26-15)28(24,25)17-5-3-16(4-6-17)27(22,23)13-12-21-10-1-8-20-9-11-21/h2-7,20H,1,8-14,19H2
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Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.Assay Plates:Black, flat bottom 96 well platesProcedure:1. Dilute LOX en...

Citation and Details

BindingDB Entry DOI: 10.7270/Q25M69MF
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Sus scrofa)		BDBM469008
PNG
(US10807974, Example 17 | US10995088, Example 17 | ...)
Show SMILES CN(C)CCS(=O)(=O)c1ccc(cc1)S(=O)(=O)c1ccc(CN)s1
Show InChI InChI=1S/C15H20N2O4S3/c1-17(2)9-10-23(18,19)13-4-6-14(7-5-13)24(20,21)15-8-3-12(11-16)22-15/h3-8H,9-11,16H2,1-2H3
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Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.Assay Plates:Black, flat bottom 96 well platesProcedure:1. Dilute LOX en...

Citation and Details

BindingDB Entry DOI: 10.7270/Q25M69MF
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Rattus norvegicus)		BDBM50011933
PNG
(2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 4-ph...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OCCCCc2ccccc2)cc1O
Show InChI InChI=1S/C20H19NO4/c21-14-17(12-16-9-10-18(22)19(23)13-16)20(24)25-11-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-10,12-13,22-23H,4-5,8,11H2/b17-12+
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Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 12-lipoxygenase in rat platelet rich plasma

J Med Chem 34: 1503-5 (1991)


BindingDB Entry DOI: 10.7270/Q22Z14G6
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Sus scrofa)		BDBM469024
PNG
(US10807974, Example 40 | US10995088, Example 40 | ...)
Show SMILES NCc1ccc(s1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)CCCN=[N+]=[N-]
Show InChI InChI=1S/C14H16N4O4S3/c15-10-11-2-7-14(23-11)25(21,22)13-5-3-12(4-6-13)24(19,20)9-1-8-17-18-16/h2-7H,1,8-10,15H2
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Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.Assay Plates:Black, flat bottom 96 well platesProcedure:1. Dilute LOX en...

Citation and Details

BindingDB Entry DOI: 10.7270/Q25M69MF
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Rattus norvegicus)		BDBM50011936
PNG
(2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid 3-py...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)OCCCc2cccnc2)cc1O
Show InChI InChI=1S/C18H16N2O4/c19-11-15(9-14-5-6-16(21)17(22)10-14)18(23)24-8-2-4-13-3-1-7-20-12-13/h1,3,5-7,9-10,12,21-22H,2,4,8H2/b15-9+
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Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against 12-lipoxygenase in rat platelet rich plasma

J Med Chem 34: 1503-5 (1991)


BindingDB Entry DOI: 10.7270/Q22Z14G6
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Sus scrofa)		BDBM469004
PNG
(US10807974, Example 5 | US10995088, Example 5 | US...)
Show SMILES CS(=O)(=O)c1ccc(cc1)S(=O)(=O)c1ccc(CN)s1
Show InChI InChI=1S/C12H13NO4S3/c1-19(14,15)10-3-5-11(6-4-10)20(16,17)12-7-2-9(8-13)18-12/h2-7H,8,13H2,1H3
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Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.Assay Plates:Black, flat bottom 96 well platesProcedure:1. Dilute LOX en...

Citation and Details

BindingDB Entry DOI: 10.7270/Q25M69MF
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Rattus norvegicus)		BDBM50016687
PNG
(2-(4-Benzyloxy-phenyl)-N-hydroxy-N-methyl-acetamid...)
Show SMILES CN(O)C(=O)Cc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C16H17NO3/c1-17(19)16(18)11-13-7-9-15(10-8-13)20-12-14-5-3-2-4-6-14/h2-10,19H,11-12H2,1H3
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Curated by ChEMBL


Assay Description
Invitro inhibition of rat platelet 12-lipoxygenase

J Med Chem 32: 1836-42 (1989)


BindingDB Entry DOI: 10.7270/Q2VT1R21
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Rattus norvegicus)		BDBM50016682
PNG
(CHEMBL53028 | N-Benzyl-N-hydroxy-4-phenyl-butyrami...)
Show SMILES ON(Cc1ccccc1)C(=O)CCCc1ccccc1
Show InChI InChI=1S/C17H19NO2/c19-17(13-7-12-15-8-3-1-4-9-15)18(20)14-16-10-5-2-6-11-16/h1-6,8-11,20H,7,12-14H2
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Curated by ChEMBL


Assay Description
Invitro inhibition of rat platelet 12-lipoxygenase

J Med Chem 32: 1836-42 (1989)


BindingDB Entry DOI: 10.7270/Q2VT1R21
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Sus scrofa)		BDBM469027
PNG
(US10807974, Example 12 | US10995088, Example 12 | ...)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)S(=O)(=O)c1ccc(CN)s1
Show InChI InChI=1S/C13H16N2O4S3/c1-15(2)22(18,19)12-6-4-11(5-7-12)21(16,17)13-8-3-10(9-14)20-13/h3-8H,9,14H2,1-2H3
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Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.Assay Plates:Black, flat bottom 96 well platesProcedure:1. Dilute LOX en...

Citation and Details

BindingDB Entry DOI: 10.7270/Q25M69MF
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Sus scrofa)		BDBM469018
PNG
(US10807974, Example 34 | US10995088, Example 34 | ...)
Show SMILES CS(=O)(=O)N1CCN(CCS(=O)(=O)c2ccc(cc2)S(=O)(=O)c2ccc(CN)s2)CC1
Show InChI InChI=1S/C18H25N3O6S4/c1-29(22,23)21-10-8-20(9-11-21)12-13-30(24,25)16-3-5-17(6-4-16)31(26,27)18-7-2-15(14-19)28-18/h2-7H,8-14,19H2,1H3
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Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.Assay Plates:Black, flat bottom 96 well platesProcedure:1. Dilute LOX en...

Citation and Details

BindingDB Entry DOI: 10.7270/Q25M69MF
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Sus scrofa)		BDBM469010
PNG
(US10807974, Example 26 | US10995088, Example 26 | ...)
Show SMILES NCc1ccc(s1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)CCN1CCCC1
Show InChI InChI=1S/C17H22N2O4S3/c18-13-14-3-8-17(24-14)26(22,23)16-6-4-15(5-7-16)25(20,21)12-11-19-9-1-2-10-19/h3-8H,1-2,9-13,18H2
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Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.Assay Plates:Black, flat bottom 96 well platesProcedure:1. Dilute LOX en...

Citation and Details

BindingDB Entry DOI: 10.7270/Q25M69MF
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Sus scrofa)		BDBM469022
PNG
(US10807974, Example 38 | US10995088, Example 38 | ...)
Show SMILES CC(=O)N1CCCN(CCS(=O)(=O)c2ccc(cc2)S(=O)(=O)c2ccc(CN)s2)CC1
Show InChI InChI=1S/C20H27N3O5S3/c1-16(24)23-10-2-9-22(11-12-23)13-14-30(25,26)18-4-6-19(7-5-18)31(27,28)20-8-3-17(15-21)29-20/h3-8H,2,9-15,21H2,1H3
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Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.Assay Plates:Black, flat bottom 96 well platesProcedure:1. Dilute LOX en...

Citation and Details

BindingDB Entry DOI: 10.7270/Q25M69MF
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Rattus norvegicus)		BDBM50016686
PNG
(CHEMBL54013 | N-Hydroxy-3-phenyl-N-(3-phenyl-propy...)
Show SMILES ON(CCCc1ccccc1)C(=O)CCc1ccccc1
Show InChI InChI=1S/C18H21NO2/c20-18(14-13-17-10-5-2-6-11-17)19(21)15-7-12-16-8-3-1-4-9-16/h1-6,8-11,21H,7,12-15H2
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Curated by ChEMBL


Assay Description
Invitro inhibition of rat platelet 12-lipoxygenase

J Med Chem 32: 1836-42 (1989)


BindingDB Entry DOI: 10.7270/Q2VT1R21
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Sus scrofa)		BDBM469029
PNG
(US10807974, Example 14 | US10807974, Example 42 | ...)
Show SMILES NCc1ccc(s1)S(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C15H18N2O4S3/c16-11-12-6-7-15(22-12)23(18,19)13-4-3-5-14(10-13)24(20,21)17-8-1-2-9-17/h3-7,10H,1-2,8-9,11,16H2
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Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.Assay Plates:Black, flat bottom 96 well platesProcedure:1. Dilute LOX en...

Citation and Details

BindingDB Entry DOI: 10.7270/Q25M69MF
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Sus scrofa)		BDBM469025
PNG
(US10807974, Example 41 | US10995088, Example 41 | ...)
Show SMILES NCc1ccc(s1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)CCCN1CCCC1
Show InChI InChI=1S/C18H24N2O4S3/c19-14-15-4-9-18(25-15)27(23,24)17-7-5-16(6-8-17)26(21,22)13-3-12-20-10-1-2-11-20/h4-9H,1-3,10-14,19H2
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Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.Assay Plates:Black, flat bottom 96 well platesProcedure:1. Dilute LOX en...

Citation and Details

BindingDB Entry DOI: 10.7270/Q25M69MF
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Sus scrofa)		BDBM469016
PNG
(US10807974, Example 32 | US10995088, Example 32 | ...)
Show SMILES NCc1ccc(s1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)CCNC(=O)c1ccccc1
Show InChI InChI=1S/C20H20N2O5S3/c21-14-16-6-11-19(28-16)30(26,27)18-9-7-17(8-10-18)29(24,25)13-12-22-20(23)15-4-2-1-3-5-15/h1-11H,12-14,21H2,(H,22,23)
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Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.Assay Plates:Black, flat bottom 96 well platesProcedure:1. Dilute LOX en...

Citation and Details

BindingDB Entry DOI: 10.7270/Q25M69MF
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Sus scrofa)		BDBM597789
PNG
(US11608330, Example 50)
Show SMILES NCc1ncc(s1)S(=O)(=O)c1cccc(c1)C(=O)NCCO
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Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.Assay Plates:Black, flat bottom 96 well platesProcedure:1. Dilute LOX en...

Citation and Details

BindingDB Entry DOI: 10.7270/Q25M69MF
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Sus scrofa)		BDBM597791
PNG
(US11608330, Example 52)
Show SMILES COc1ccc(cc1)S(=O)(=O)CCNC(=O)c1cccc(c1)S(=O)(=O)c1cnc(CN)s1
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Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.Assay Plates:Black, flat bottom 96 well platesProcedure:1. Dilute LOX en...

Citation and Details

BindingDB Entry DOI: 10.7270/Q25M69MF
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Sus scrofa)		BDBM50526737
PNG
(CHEMBL4528500 | US10807974, Example 82 | US1099508...)
Show SMILES Cc1ccc(cc1)-c1cc(ccc1S(C)(=O)=O)S(=O)(=O)c1ccc(CN)s1
Show InChI InChI=1S/C19H19NO4S3/c1-13-3-5-14(6-4-13)17-11-16(8-9-18(17)26(2,21)22)27(23,24)19-10-7-15(12-20)25-19/h3-11H,12,20H2,1-2H3
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Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.Assay Plates:Black, flat bottom 96 well platesProcedure:1. Dilute LOX en...

Citation and Details

BindingDB Entry DOI: 10.7270/Q25M69MF
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Sus scrofa)		BDBM469057
PNG
(US10807974, Example 80 | US10995088, Example 80 | ...)
Show SMILES CS(=O)(=O)c1ccc(cc1-c1ccccc1)S(=O)(=O)c1ccc(CN)s1
Show InChI InChI=1S/C18H17NO4S3/c1-25(20,21)17-9-8-15(11-16(17)13-5-3-2-4-6-13)26(22,23)18-10-7-14(12-19)24-18/h2-11H,12,19H2,1H3
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n/an/a 770n/an/an/an/an/an/a


TBA

Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.Assay Plates:Black, flat bottom 96 well platesProcedure:1. Dilute LOX en...

Citation and Details

BindingDB Entry DOI: 10.7270/Q25M69MF
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Sus scrofa)		BDBM469028
PNG
(US10807974, Example 13 | US10995088, Example 13 | ...)
Show SMILES CN(C)S(=O)(=O)c1cccc(c1)S(=O)(=O)c1ccc(CN)s1
Show InChI InChI=1S/C13H16N2O4S3/c1-15(2)22(18,19)12-5-3-4-11(8-12)21(16,17)13-7-6-10(9-14)20-13/h3-8H,9,14H2,1-2H3
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TBA

Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.Assay Plates:Black, flat bottom 96 well platesProcedure:1. Dilute LOX en...

Citation and Details

BindingDB Entry DOI: 10.7270/Q25M69MF
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Sus scrofa)		BDBM469058
PNG
(US10807974, Example 81 | US10995088, Example 81 | ...)
Show SMILES Cn1cc(cn1)-c1cc(ccc1S(C)(=O)=O)S(=O)(=O)c1ccc(CN)s1
Show InChI InChI=1S/C16H17N3O4S3/c1-19-10-11(9-18-19)14-7-13(4-5-15(14)25(2,20)21)26(22,23)16-6-3-12(8-17)24-16/h3-7,9-10H,8,17H2,1-2H3
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TBA

Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.Assay Plates:Black, flat bottom 96 well platesProcedure:1. Dilute LOX en...

Citation and Details

BindingDB Entry DOI: 10.7270/Q25M69MF
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Sus scrofa)		BDBM50501885
PNG
(CHEMBL4441173 | US10807974, Example 68 | US1099508...)
Show SMILES CS(=O)(=O)c1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)-c1ccccc1
Show InChI InChI=1S/C18H17NO4S3/c1-25(20,21)16-9-14(13-5-3-2-4-6-13)10-17(11-16)26(22,23)18-8-7-15(12-19)24-18/h2-11H,12,19H2,1H3
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TBA

Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.Assay Plates:Black, flat bottom 96 well platesProcedure:1. Dilute LOX en...

Citation and Details

BindingDB Entry DOI: 10.7270/Q25M69MF
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Sus scrofa)		BDBM469061
PNG
(US10807974, Example 84 | US10995088, Example 84 | ...)
Show SMILES CS(=O)(=O)c1ccc(cc1-c1ccc(F)cc1)S(=O)(=O)c1ccc(CN)s1
Show InChI InChI=1S/C18H16FNO4S3/c1-26(21,22)17-8-7-15(10-16(17)12-2-4-13(19)5-3-12)27(23,24)18-9-6-14(11-20)25-18/h2-10H,11,20H2,1H3
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TBA

Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.Assay Plates:Black, flat bottom 96 well platesProcedure:1. Dilute LOX en...

Citation and Details

BindingDB Entry DOI: 10.7270/Q25M69MF
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Sus scrofa)		BDBM469015
PNG
(US10807974, Example 31 | US10995088, Example 31 | ...)
Show SMILES CC(=O)NCCS(=O)(=O)c1ccc(cc1)S(=O)(=O)c1ccc(CN)s1
Show InChI InChI=1S/C15H18N2O5S3/c1-11(18)17-8-9-24(19,20)13-3-5-14(6-4-13)25(21,22)15-7-2-12(10-16)23-15/h2-7H,8-10,16H2,1H3,(H,17,18)
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TBA

Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.Assay Plates:Black, flat bottom 96 well platesProcedure:1. Dilute LOX en...

Citation and Details

BindingDB Entry DOI: 10.7270/Q25M69MF
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Sus scrofa)		BDBM469030
PNG
(US10807974, Example 15 | US10995088, Example 15 | ...)
Show SMILES NCc1ccc(s1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C15H18N2O4S3/c16-11-12-3-8-15(22-12)23(18,19)13-4-6-14(7-5-13)24(20,21)17-9-1-2-10-17/h3-8H,1-2,9-11,16H2
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TBA

Assay Description
LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.Assay Plates:Black, flat bottom 96 well platesProcedure:1. Dilute LOX en...

Citation and Details

BindingDB Entry DOI: 10.7270/Q25M69MF
More data for this
Ligand-Target Pair
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