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Compile Data Set for Download or QSAR

Found 59 hits of ic50 data for polymerid = 50001608,50001908   
Target/Host
(Institution)
LigandTarget/Host
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
Arachidonate 12-lipoxygenase


(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


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(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


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(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


Citation and Details
More data for this
Ligand-Target Pair
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)

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)

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)

More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(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


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(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


Citation and Details
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)

More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(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


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(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


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(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...


Citation and Details
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)

More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(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


Citation and Details
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)

More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(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


Citation and Details
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)

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)

More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(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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n/an/a 400n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Invitro inhibition of rat platelet 12-lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(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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n/an/a 470n/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


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(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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n/an/a 470n/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


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(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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n/an/a 500n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Invitro inhibition of rat platelet 12-lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(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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n/an/a 500n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Invitro inhibition of rat platelet 12-lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(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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n/an/a 600n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Invitro inhibition of rat platelet 12-lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(Rattus norvegicus)
BDBM50016690
PNG
(5-Phenyl-pentanoic acid hydroxy-methyl-amide | CHE...)
Show SMILES CN(O)C(=O)CCCCc1ccccc1
Show InChI InChI=1S/C12H17NO2/c1-13(15)12(14)10-6-5-9-11-7-3-2-4-8-11/h2-4,7-8,15H,5-6,9-10H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Invitro inhibition of rat platelet 12-lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(Rattus norvegicus)
BDBM50006819
PNG
(2-(4-Benzyloxy-phenyl)-N-hydroxy-N-phenethyl-aceta...)
Show SMILES ON(CCc1ccccc1)C(=O)Cc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C23H23NO3/c25-23(24(26)16-15-19-7-3-1-4-8-19)17-20-11-13-22(14-12-20)27-18-21-9-5-2-6-10-21/h1-14,26H,15-18H2
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n/an/a 1.50E+3n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Invitro inhibition of rat platelet 12-lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(Rattus norvegicus)
BDBM50016689
PNG
(CHEMBL55762 | N-Hydroxy-4-(4-methoxy-phenyl)-N-met...)
Show SMILES COc1ccc(CCCC(=O)N(C)O)cc1
Show InChI InChI=1S/C12H17NO3/c1-13(15)12(14)5-3-4-10-6-8-11(16-2)9-7-10/h6-9,15H,3-5H2,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Invitro inhibition of rat platelet 12-lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(Rattus norvegicus)
BDBM50016692
PNG
(CHEMBL53393 | N-Hydroxy-N-phenethyl-2-phenoxy-acet...)
Show SMILES ON(CCc1ccccc1)C(=O)COc1ccccc1
Show InChI InChI=1S/C16H17NO3/c18-16(13-20-15-9-5-2-6-10-15)17(19)12-11-14-7-3-1-4-8-14/h1-10,19H,11-13H2
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n/an/a 1.50E+3n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Invitro inhibition of rat platelet 12-lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(Rattus norvegicus)
BDBM50016693
PNG
(2-(4-Benzyloxy-phenyl)-N-hydroxy-acetamide | CHEMB...)
Show SMILES ONC(=O)Cc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C15H15NO3/c17-15(16-18)10-12-6-8-14(9-7-12)19-11-13-4-2-1-3-5-13/h1-9,18H,10-11H2,(H,16,17)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Invitro inhibition of rat platelet 12-lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(Rattus norvegicus)
BDBM50016672
PNG
(2-(4-Benzyloxy-phenyl)-N-hydroxy-N-propyl-acetamid...)
Show SMILES CCCN(O)C(=O)Cc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C18H21NO3/c1-2-12-19(21)18(20)13-15-8-10-17(11-9-15)22-14-16-6-4-3-5-7-16/h3-11,21H,2,12-14H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Invitro inhibition of rat platelet 12-lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(Rattus norvegicus)
BDBM50016673
PNG
(CHEMBL52896 | N-Hydroxy-N-methyl-2-[4-(quinolin-2-...)
Show SMILES CN(O)C(=O)Cc1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C19H18N2O3/c1-21(23)19(22)12-14-6-10-17(11-7-14)24-13-16-9-8-15-4-2-3-5-18(15)20-16/h2-11,23H,12-13H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Invitro inhibition of rat platelet 12-lipoxygenase


Citation and Details
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)

More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(Rattus norvegicus)
BDBM50016683
PNG
(2-[4-(3-Chloro-benzyloxy)-phenyl]-N-hydroxy-N-meth...)
Show SMILES CN(O)C(=O)Cc1ccc(OCc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C16H16ClNO3/c1-18(20)16(19)10-12-5-7-15(8-6-12)21-11-13-3-2-4-14(17)9-13/h2-9,20H,10-11H2,1H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Invitro inhibition of rat platelet 12-lipoxygenase


Citation and Details
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)

More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(Rattus norvegicus)
BDBM50016676
PNG
(CHEMBL293264 | N-Hydroxy-4-(4-methoxy-phenyl)-N-ph...)
Show SMILES COc1ccc(CCCC(=O)N(O)CCc2ccccc2)cc1
Show InChI InChI=1S/C19H23NO3/c1-23-18-12-10-17(11-13-18)8-5-9-19(21)20(22)15-14-16-6-3-2-4-7-16/h2-4,6-7,10-13,22H,5,8-9,14-15H2,1H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Invitro inhibition of rat platelet 12-lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(Sus scrofa)
BDBM50041161
PNG
(1-(4-Chloro-benzyl)-2-[2,2-dimethyl-3-(1H-tetrazol...)
Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)Cc4nnn[nH]4)c(S1)c23
Show InChI InChI=1S/C36H35ClN6OS/c1-23-17-29-32(44-22-28-14-11-26(20-38-28)25-7-5-4-6-8-25)16-15-30-34(29)35(45-23)31(18-36(2,3)19-33-39-41-42-40-33)43(30)21-24-9-12-27(37)13-10-24/h4-16,20,23H,17-19,21-22H2,1-3H3,(H,39,40,41,42)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Tested for inhibition against porcine 12-LO


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(Rattus norvegicus)
BDBM50016679
PNG
(CHEMBL52085 | N-Hydroxy-N-methyl-2-[3-(quinolin-2-...)
Show SMILES CN(O)C(=O)Cc1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C19H18N2O3/c1-21(23)19(22)12-14-5-4-7-17(11-14)24-13-16-10-9-15-6-2-3-8-18(15)20-16/h2-11,23H,12-13H2,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Invitro inhibition of rat platelet 12-lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(Rattus norvegicus)
BDBM50016685
PNG
(CHEMBL54838 | N-Hydroxy-N-phenethyl-3-phenoxy-prop...)
Show SMILES ON(CCc1ccccc1)C(=O)CCOc1ccccc1
Show InChI InChI=1S/C17H19NO3/c19-17(12-14-21-16-9-5-2-6-10-16)18(20)13-11-15-7-3-1-4-8-15/h1-10,20H,11-14H2
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n/an/a 3.50E+3n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Invitro inhibition of rat platelet 12-lipoxygenase


Citation and Details
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(Rattus norvegicus)
BDBM50016670
PNG
(2-(4-Benzyloxy-phenyl)-N-hydroxy-N-(3-phenyl-propy...)
Show SMILES ON(CCCc1ccccc1)C(=O)Cc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C24H25NO3/c26-24(25(27)17-7-12-20-8-3-1-4-9-20)18-21-13-15-23(16-14-21)28-19-22-10-5-2-6-11-22/h1-6,8-11,13-16,27H,7,12,17-19H2
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n/an/a 4.50E+3n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Invitro inhibition of rat platelet 12-lipoxygenase


Citation and Details
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)

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)

More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(Rattus norvegicus)
BDBM50016691
PNG
(CHEMBL52572 | N-Benzyl-N-hydroxy-2-(4-isobutyl-phe...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)N(O)Cc1ccccc1
Show InChI InChI=1S/C20H25NO2/c1-15(2)13-17-9-11-19(12-10-17)16(3)20(22)21(23)14-18-7-5-4-6-8-18/h4-12,15-16,23H,13-14H2,1-3H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Invitro inhibition of rat platelet 12-lipoxygenase


Citation and Details
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)

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)

More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase


(Rattus norvegicus)
BDBM50016681
PNG
(2-(3-Benzyloxy-phenyl)-N-hydroxy-N-phenethyl-propi...)
Show SMILES CC(C(=O)N(O)CCc1ccccc1)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C24H25NO3/c1-19(24(26)25(27)16-15-20-9-4-2-5-10-20)22-13-8-14-23(17-22)28-18-21-11-6-3-7-12-21/h2-14,17,19,27H,15-16,18H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Invitro inhibition of rat platelet 12-lipoxygenase


Citation and Details
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)

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)

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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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)

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)

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)

More data for this
Ligand-Target Pair
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