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PubMed code 8960545

Compile data set for download or QSAR
Found 21 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Arachidonate 12-lipoxygenase


(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)
Arachidonate 12-lipoxygenase


(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
Arachidonate 12-lipoxygenase


(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
Arachidonate 12-lipoxygenase


(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
Arachidonate 12-lipoxygenase


(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
Arachidonate 12-lipoxygenase


(Sus scrofa)
BDBM50054844
PNG
(3-(4-Tetradeca-2,3-dienyloxymethyl-phenyl)-propion...)
Show SMILES CCCCCCCCCCC=C=CCOCc1ccc(CCC(O)=O)cc1
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
Arachidonate 12-lipoxygenase


(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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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
Arachidonate 12-lipoxygenase


(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
Arachidonate 12-lipoxygenase


(Sus scrofa)
BDBM50054849
PNG
(3-(4-Non-2-ynyloxymethyl-phenyl)-propionic acid | ...)
Show SMILES CCCCCCC#CCOCc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C19H26O3/c1-2-3-4-5-6-7-8-15-22-16-18-11-9-17(10-12-18)13-14-19(20)21/h9-12H,2-6,13-16H2,1H3,(H,20,21)
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n/an/a 2.00E+3n/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
Arachidonate 12-lipoxygenase


(Sus scrofa)
BDBM50054850
PNG
(3-{4-[((Z)-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 2.50E+3n/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
Arachidonate 12-lipoxygenase


(Sus scrofa)
BDBM50054841
PNG
(3-[4-(7-Phenyl-hept-2-ynyloxymethyl)-phenyl]-propi...)
Show SMILES OC(=O)CCc1ccc(COCC#CCCCCc2ccccc2)cc1
Show InChI InChI=1S/C23H26O3/c24-23(25)17-16-21-12-14-22(15-13-21)19-26-18-8-3-1-2-5-9-20-10-6-4-7-11-20/h4,6-7,10-15H,1-2,5,9,16-19H2,(H,24,25)
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n/an/a 5.00E+3n/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
Arachidonate 12-lipoxygenase


(Sus scrofa)
BDBM50407987
PNG
(CHEMBL2112001)
Show SMILES OC(=O)CCc1cccc(COCC#CCCCCCc2ccccc2)c1
Show InChI InChI=1S/C24H28O3/c25-24(26)17-16-22-14-10-15-23(19-22)20-27-18-9-4-2-1-3-6-11-21-12-7-5-8-13-21/h5,7-8,10,12-15,19H,1-3,6,11,16-18,20H2,(H,25,26)
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n/an/a 5.00E+3n/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
Arachidonate 12-lipoxygenase


(Sus scrofa)
BDBM50054835
PNG
(4-Dec-2-ynyloxymethyl-benzoic acid | CHEMBL359394)
Show SMILES CCCCCCCC#CCOCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H24O3/c1-2-3-4-5-6-7-8-9-14-21-15-16-10-12-17(13-11-16)18(19)20/h10-13H,2-7,14-15H2,1H3,(H,19,20)
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n/an/a 6.00E+3n/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
Arachidonate 12-lipoxygenase


(Sus scrofa)
BDBM50054848
PNG
(3-(3-Non-3-ynyloxymethyl-phenyl)-propionic acid | ...)
Show SMILES CCCCCC#CCCOCc1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C19H26O3/c1-2-3-4-5-6-7-8-14-22-16-18-11-9-10-17(15-18)12-13-19(20)21/h9-11,15H,2-5,8,12-14,16H2,1H3,(H,20,21)
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n/an/a>1.00E+4n/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
Arachidonate 12-lipoxygenase


(Sus scrofa)
BDBM50054834
PNG
(3-(4-Tridecyloxymethyl-phenyl)-propionic acid | CH...)
Show SMILES CCCCCCCCCCCCCOCc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C23H38O3/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,2-12,17-20H2,1H3,(H,24,25)
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n/an/a>1.00E+4n/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
Arachidonate 12-lipoxygenase


(Sus scrofa)
BDBM50054847
PNG
(4-Heptadec-2-ynyloxymethyl-benzoic acid | CHEMBL14...)
Show SMILES CCCCCCCCCCCCCCC#CCOCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28-22-23-17-19-24(20-18-23)25(26)27/h17-20H,2-14,21-22H2,1H3,(H,26,27)
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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
Arachidonate 12-lipoxygenase


(Sus scrofa)
BDBM50054845
PNG
(4-(4-Tridec-2-ynyloxymethyl-phenyl)-butyric acid |...)
Show SMILES CCCCCCCCCCC#CCOCc1ccc(CCCC(O)=O)cc1
Show InChI InChI=1S/C24H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-20-27-21-23-18-16-22(17-19-23)14-13-15-24(25)26/h16-19H,2-10,13-15,20-21H2,1H3,(H,25,26)
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n/an/a>1.00E+4n/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
Arachidonate 12-lipoxygenase


(Sus scrofa)
BDBM50054837
PNG
(3-(3-Undec-2-ynyloxymethyl-phenyl)-propionic acid ...)
Show SMILES CCCCCCCCC#CCOCc1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C21H30O3/c1-2-3-4-5-6-7-8-9-10-16-24-18-20-13-11-12-19(17-20)14-15-21(22)23/h11-13,17H,2-8,14-16,18H2,1H3,(H,22,23)
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n/an/a 1.00E+4n/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
Arachidonate 12-lipoxygenase


(Sus scrofa)
BDBM50054843
PNG
(3-(3-Undec-2-ynylsulfanylmethyl-phenyl)-propionic ...)
Show SMILES CCCCCCCCC#CCSCc1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C21H30O2S/c1-2-3-4-5-6-7-8-9-10-16-24-18-20-13-11-12-19(17-20)14-15-21(22)23/h11-13,17H,2-8,14-16,18H2,1H3,(H,22,23)
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n/an/a>1.00E+4n/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
Arachidonate 12-lipoxygenase


(Sus scrofa)
BDBM50054842
PNG
(3-(3-Non-2-ynyloxymethyl-phenyl)-propionic acid | ...)
Show SMILES CCCCCCC#CCOCc1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C19H26O3/c1-2-3-4-5-6-7-8-14-22-16-18-11-9-10-17(15-18)12-13-19(20)21/h9-11,15H,2-6,12-14,16H2,1H3,(H,20,21)
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n/an/a>1.00E+4n/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
Arachidonate 12-lipoxygenase


(Sus scrofa)
BDBM50054839
PNG
(3-(4-Heptadec-2-ynyloxymethyl-phenyl)-propionic ac...)
Show SMILES CCCCCCCCCCCCCCC#CCOCc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C27H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-30-24-26-19-17-25(18-20-26)21-22-27(28)29/h17-20H,2-14,21-24H2,1H3,(H,28,29)
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n/an/a>1.00E+4n/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
* indicates data uncertainty>20%