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PubMed code 8568814

Compile data set for download or QSAR
Found 23 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 5-lipoxygenase


(Rattus norvegicus)
BDBM50048999
PNG
(CHEMBL82292 | N-Hydroxy-N-methyl-3-(11-oxo-6,11-di...)
Show SMILES CN(O)C(=O)CCc1ccc2OCc3ccccc3C(=O)c2c1
Show InChI InChI=1S/C18H17NO4/c1-19(22)17(20)9-7-12-6-8-16-15(10-12)18(21)14-5-3-2-4-13(14)11-23-16/h2-6,8,10,22H,7,9,11H2,1H3
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n/an/a 10n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant


J Med Chem 39: 246-52 (1996)


Article DOI: 10.1021/jm950563z
BindingDB Entry DOI: 10.7270/Q22806PF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50048989
PNG
(3-(6,11-Dihydro-dibenzo[b,e]oxepin-2-yl)-N-hydroxy...)
Show SMILES CN(O)C(=O)CCc1ccc2OCc3ccccc3Cc2c1
Show InChI InChI=1S/C18H19NO3/c1-19(21)18(20)9-7-13-6-8-17-16(10-13)11-14-4-2-3-5-15(14)12-22-17/h2-6,8,10,21H,7,9,11-12H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant


J Med Chem 39: 246-52 (1996)


Article DOI: 10.1021/jm950563z
BindingDB Entry DOI: 10.7270/Q22806PF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM32020
PNG
(4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...)
Show SMILES CC(Cc1ccc(O)c(O)c1)C(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
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n/an/a 120n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant


J Med Chem 39: 246-52 (1996)


Article DOI: 10.1021/jm950563z
BindingDB Entry DOI: 10.7270/Q22806PF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50048997
PNG
(2-[2-(Hydroxy-isopropyl-amino)-ethyl]-6H-dibenzo[b...)
Show SMILES CC(C)N(O)CCc1ccc2OCc3ccccc3C(=O)c2c1
Show InChI InChI=1S/C19H21NO3/c1-13(2)20(22)10-9-14-7-8-18-17(11-14)19(21)16-6-4-3-5-15(16)12-23-18/h3-8,11,13,22H,9-10,12H2,1-2H3
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n/an/a 130n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant


J Med Chem 39: 246-52 (1996)


Article DOI: 10.1021/jm950563z
BindingDB Entry DOI: 10.7270/Q22806PF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50048998
PNG
(CHEMBL83425 | N-Ethyl-N-hydroxy-3-(11-oxo-6,11-dih...)
Show SMILES CCN(O)C(=O)CCc1ccc2OCc3ccccc3C(=O)c2c1
Show InChI InChI=1S/C19H19NO4/c1-2-20(23)18(21)10-8-13-7-9-17-16(11-13)19(22)15-6-4-3-5-14(15)12-24-17/h3-7,9,11,23H,2,8,10,12H2,1H3
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n/an/a 150n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant


J Med Chem 39: 246-52 (1996)


Article DOI: 10.1021/jm950563z
BindingDB Entry DOI: 10.7270/Q22806PF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50048990
PNG
(CHEMBL314856 | N-Hydroxy-N-[2-(11-oxo-6,11-dihydro...)
Show SMILES CC(=O)N(O)CCc1ccc2OCc3ccccc3C(=O)c2c1
Show InChI InChI=1S/C18H17NO4/c1-12(20)19(22)9-8-13-6-7-17-16(10-13)18(21)15-5-3-2-4-14(15)11-23-17/h2-7,10,22H,8-9,11H2,1H3
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n/an/a 190n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant


J Med Chem 39: 246-52 (1996)


Article DOI: 10.1021/jm950563z
BindingDB Entry DOI: 10.7270/Q22806PF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50049003
PNG
(CHEMBL85455 | N-Hydroxy-N-(11-oxo-6,11-dihydro-dib...)
Show SMILES CC(=O)N(O)Cc1ccc2OCc3ccccc3C(=O)c2c1
Show InChI InChI=1S/C17H15NO4/c1-11(19)18(21)9-12-6-7-16-15(8-12)17(20)14-5-3-2-4-13(14)10-22-16/h2-8,21H,9-10H2,1H3
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n/an/a 210n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant


J Med Chem 39: 246-52 (1996)


Article DOI: 10.1021/jm950563z
BindingDB Entry DOI: 10.7270/Q22806PF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50048992
PNG
(2-[2-(Hydroxy-methyl-amino)-ethyl]-6H-dibenzo[b,e]...)
Show SMILES CN(O)CCc1ccc2OCc3ccccc3C(=O)c2c1
Show InChI InChI=1S/C17H17NO3/c1-18(20)9-8-12-6-7-16-15(10-12)17(19)14-5-3-2-4-13(14)11-21-16/h2-7,10,20H,8-9,11H2,1H3
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n/an/a 240n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant


J Med Chem 39: 246-52 (1996)


Article DOI: 10.1021/jm950563z
BindingDB Entry DOI: 10.7270/Q22806PF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50048991
PNG
(CHEMBL84599 | N-[2-(6,11-Dihydro-dibenzo[b,e]oxepi...)
Show SMILES CCN(O)CCc1ccc2OCc3ccccc3Cc2c1
Show InChI InChI=1S/C18H21NO2/c1-2-19(20)10-9-14-7-8-18-17(11-14)12-15-5-3-4-6-16(15)13-21-18/h3-8,11,20H,2,9-10,12-13H2,1H3
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n/an/a 320n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant


J Med Chem 39: 246-52 (1996)


Article DOI: 10.1021/jm950563z
BindingDB Entry DOI: 10.7270/Q22806PF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50049008
PNG
(2-[2-(Ethyl-hydroxy-amino)-ethyl]-6,11-dihydro-dib...)
Show SMILES CCN(O)CCc1ccc2OCc3ccccc3C(O)c2c1
Show InChI InChI=1S/C18H21NO3/c1-2-19(21)10-9-13-7-8-17-16(11-13)18(20)15-6-4-3-5-14(15)12-22-17/h3-8,11,18,20-21H,2,9-10,12H2,1H3
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n/an/a 450n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant


J Med Chem 39: 246-52 (1996)


Article DOI: 10.1021/jm950563z
BindingDB Entry DOI: 10.7270/Q22806PF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50048994
PNG
(2-[2-(Ethyl-hydroxy-amino)-ethyl]-6H-dibenzo[b,e]o...)
Show SMILES CCN(O)CCc1ccc2OCc3ccccc3C(=O)c2c1
Show InChI InChI=1S/C18H19NO3/c1-2-19(21)10-9-13-7-8-17-16(11-13)18(20)15-6-4-3-5-14(15)12-22-17/h3-8,11,21H,2,9-10,12H2,1H3
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n/an/a 480n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant


J Med Chem 39: 246-52 (1996)


Article DOI: 10.1021/jm950563z
BindingDB Entry DOI: 10.7270/Q22806PF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50006817
PNG
(9-Phenyl-nonanoic acid hydroxyamide | BMY-30094 | ...)
Show SMILES ONC(=O)CCCCCCCCc1ccccc1
Show InChI InChI=1S/C15H23NO2/c17-15(16-18)13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12,18H,1-4,6,9-10,13H2,(H,16,17)
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n/an/a 480n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant


J Med Chem 39: 246-52 (1996)


Article DOI: 10.1021/jm950563z
BindingDB Entry DOI: 10.7270/Q22806PF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50049006
PNG
(CHEMBL85113 | N-Hydroxy-N-isopropyl-3-(11-oxo-6,11...)
Show SMILES CC(C)N(O)C(=O)CCc1ccc2OCc3ccccc3C(=O)c2c1
Show InChI InChI=1S/C20H21NO4/c1-13(2)21(24)19(22)10-8-14-7-9-18-17(11-14)20(23)16-6-4-3-5-15(16)12-25-18/h3-7,9,11,13,24H,8,10,12H2,1-2H3
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n/an/a 580n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant


J Med Chem 39: 246-52 (1996)


Article DOI: 10.1021/jm950563z
BindingDB Entry DOI: 10.7270/Q22806PF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50048996
PNG
(CHEMBL86214 | N-Ethyl-N-hydroxy-2-(11-oxo-6,11-dih...)
Show SMILES CCN(O)C(=O)Cc1ccc2OCc3ccccc3C(=O)c2c1
Show InChI InChI=1S/C18H17NO4/c1-2-19(22)17(20)10-12-7-8-16-15(9-12)18(21)14-6-4-3-5-13(14)11-23-16/h3-9,22H,2,10-11H2,1H3
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n/an/a 580n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant


J Med Chem 39: 246-52 (1996)


Article DOI: 10.1021/jm950563z
BindingDB Entry DOI: 10.7270/Q22806PF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50049007
PNG
(2-[3-(Hydroxy-methyl-amino)-propyl]-6H-dibenzo[b,e...)
Show SMILES CN(O)CCCc1ccc2OCc3ccccc3C(=O)c2c1
Show InChI InChI=1S/C18H19NO3/c1-19(21)10-4-5-13-8-9-17-16(11-13)18(20)15-7-3-2-6-14(15)12-22-17/h2-3,6-9,11,21H,4-5,10,12H2,1H3
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n/an/a 620n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant


J Med Chem 39: 246-52 (1996)


Article DOI: 10.1021/jm950563z
BindingDB Entry DOI: 10.7270/Q22806PF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50049000
PNG
(CHEMBL311433 | N-Hydroxy-2,2,N-trimethyl-3-(11-oxo...)
Show SMILES CN(O)C(=O)C(C)(C)Cc1ccc2OCc3ccccc3C(=O)c2c1
Show InChI InChI=1S/C20H21NO4/c1-20(2,19(23)21(3)24)11-13-8-9-17-16(10-13)18(22)15-7-5-4-6-14(15)12-25-17/h4-10,24H,11-12H2,1-3H3
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n/an/a 660n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant


J Med Chem 39: 246-52 (1996)


Article DOI: 10.1021/jm950563z
BindingDB Entry DOI: 10.7270/Q22806PF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50049001
PNG
(CHEMBL315944 | N-Cyclohexyl-N-hydroxy-2-(11-oxo-6,...)
Show SMILES ON(C1CCCCC1)C(=O)Cc1ccc2OCc3ccccc3C(=O)c2c1
Show InChI InChI=1S/C22H23NO4/c24-21(23(26)17-7-2-1-3-8-17)13-15-10-11-20-19(12-15)22(25)18-9-5-4-6-16(18)14-27-20/h4-6,9-12,17,26H,1-3,7-8,13-14H2
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n/an/a 670n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant


J Med Chem 39: 246-52 (1996)


Article DOI: 10.1021/jm950563z
BindingDB Entry DOI: 10.7270/Q22806PF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50407748
PNG
(CHEMBL2114190)
Show SMILES CN(O)C(=O)Cc1ccc2OCc3ccccc3C(=O)c2c1
Show InChI InChI=1S/C17H15NO4/c1-18(21)16(19)9-11-6-7-15-14(8-11)17(20)13-5-3-2-4-12(13)10-22-15/h2-8,21H,9-10H2,1H3
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n/an/a 1.19E+3n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant


J Med Chem 39: 246-52 (1996)


Article DOI: 10.1021/jm950563z
BindingDB Entry DOI: 10.7270/Q22806PF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50049002
PNG
(CHEMBL312837 | N-Hydroxy-N-isopropyl-2-(11-oxo-6,1...)
Show SMILES CC(C)N(O)C(=O)Cc1ccc2OCc3ccccc3C(=O)c2c1
Show InChI InChI=1S/C19H19NO4/c1-12(2)20(23)18(21)10-13-7-8-17-16(9-13)19(22)15-6-4-3-5-14(15)11-24-17/h3-9,12,23H,10-11H2,1-2H3
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n/an/a 1.23E+3n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant


J Med Chem 39: 246-52 (1996)


Article DOI: 10.1021/jm950563z
BindingDB Entry DOI: 10.7270/Q22806PF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50048995
PNG
(CHEMBL82325 | N-Hydroxy-N-methyl-2-(11-oxo-6,11-di...)
Show SMILES CC(C(=O)N(C)O)c1ccc2OCc3ccccc3C(=O)c2c1
Show InChI InChI=1S/C18H17NO4/c1-11(18(21)19(2)22)12-7-8-16-15(9-12)17(20)14-6-4-3-5-13(14)10-23-16/h3-9,11,22H,10H2,1-2H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant


J Med Chem 39: 246-52 (1996)


Article DOI: 10.1021/jm950563z
BindingDB Entry DOI: 10.7270/Q22806PF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50049005
PNG
(CHEMBL431007 | N-Cyclohexyl-N-hydroxy-3-(11-oxo-6,...)
Show SMILES ON(C1CCCCC1)C(=O)CCc1ccc2OCc3ccccc3C(=O)c2c1
Show InChI InChI=1S/C23H25NO4/c25-22(24(27)18-7-2-1-3-8-18)13-11-16-10-12-21-20(14-16)23(26)19-9-5-4-6-17(19)15-28-21/h4-6,9-10,12,14,18,27H,1-3,7-8,11,13,15H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant


J Med Chem 39: 246-52 (1996)


Article DOI: 10.1021/jm950563z
BindingDB Entry DOI: 10.7270/Q22806PF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50048988
PNG
(CHEMBL310794 | N-Hydroxy-2-(11-oxo-6,11-dihydro-di...)
Show SMILES ONC(=O)Cc1ccc2OCc3ccccc3C(=O)c2c1
Show InChI InChI=1S/C16H13NO4/c18-15(17-20)8-10-5-6-14-13(7-10)16(19)12-4-2-1-3-11(12)9-21-14/h1-7,20H,8-9H2,(H,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant


J Med Chem 39: 246-52 (1996)


Article DOI: 10.1021/jm950563z
BindingDB Entry DOI: 10.7270/Q22806PF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50048993
PNG
(CHEMBL314595 | N-Methoxy-N-methyl-3-(11-oxo-6,11-d...)
Show SMILES CON(C)C(=O)CCc1ccc2OCc3ccccc3C(=O)c2c1
Show InChI InChI=1S/C19H19NO4/c1-20(23-2)18(21)10-8-13-7-9-17-16(11-13)19(22)15-6-4-3-5-14(15)12-24-17/h3-7,9,11H,8,10,12H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant


J Med Chem 39: 246-52 (1996)


Article DOI: 10.1021/jm950563z
BindingDB Entry DOI: 10.7270/Q22806PF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%