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Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with all data for entry = 50005979   
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
5-lipoxygenase


(Bos taurus)
BDBM50043360
PNG
(1,8-Dihydroxy-10-(4-phenyl-butyryl)-10H-anthracen-...)
Show SMILES Oc1cccc2C(C(=O)CCCc3ccccc3)c3cccc(O)c3C(=O)c12
Show InChI InChI=1S/C24H20O4/c25-18(12-4-9-15-7-2-1-3-8-15)21-16-10-5-13-19(26)22(16)24(28)23-17(21)11-6-14-20(23)27/h1-3,5-8,10-11,13-14,21,26-27H,4,9,12H2
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n/an/a 300n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL).


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043362
PNG
(1,8-Dihydroxy-10-[2-(3,4,5-trihydroxy-phenyl)-acet...)
Show SMILES Oc1cccc2C(C(=O)Cc3cc(O)c(O)c(O)c3)c3cccc(O)c3C(=O)c12
Show InChI InChI=1S/C22H16O7/c23-13-5-1-3-11-18(12-4-2-6-14(24)20(12)22(29)19(11)13)15(25)7-10-8-16(26)21(28)17(27)9-10/h1-6,8-9,18,23-24,26-28H,7H2
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n/an/a 300n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL).


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
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 400n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL).


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-lipoxygenase


(Bos taurus)
BDBM50043353
PNG
(1,8-Dihydroxy-10-(3,4,5-trihydroxy-benzylidene)-10...)
Show SMILES [#8]-c1cc(\[#6]=[#6]-2\c3cccc(-[#8])c3-[#6](=O)-c3c(-[#8])cccc-23)cc(-[#8])c1-[#8]
Show InChI InChI=1S/C21H14O6/c22-14-5-1-3-11-13(7-10-8-16(24)20(26)17(25)9-10)12-4-2-6-15(23)19(12)21(27)18(11)14/h1-9,22-26H
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n/an/a 400n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL).


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043357
PNG
(1,8-Dihydroxy-10-(3-phenyl-propionyl)-10H-anthrace...)
Show SMILES Oc1cccc2C(C(=O)CCc3ccccc3)c3cccc(O)c3C(=O)c12
Show InChI InChI=1S/C23H18O4/c24-17-10-4-8-15-20(19(26)13-12-14-6-2-1-3-7-14)16-9-5-11-18(25)22(16)23(27)21(15)17/h1-11,20,24-25H,12-13H2
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n/an/a 500n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL).


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043352
PNG
(10-(3,4-Dihydroxy-benzylidene)-1,8-dihydroxy-10H-a...)
Show SMILES [#8]-c1ccc(\[#6]=[#6]-2\c3cccc(-[#8])c3-[#6](=O)-c3c(-[#8])cccc-23)cc1-[#8]
Show InChI InChI=1S/C21H14O5/c22-15-8-7-11(10-18(15)25)9-14-12-3-1-5-16(23)19(12)21(26)20-13(14)4-2-6-17(20)24/h1-10,22-25H
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n/an/a 500n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL).


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50004677
PNG
(Acetic acid 4-acetoxy-6-chloro-2,3-dimethoxy-napht...)
Show SMILES COc1c(OC)c(OC(C)=O)c2cc(Cl)ccc2c1OC(C)=O
Show InChI InChI=1S/C16H15ClO6/c1-8(18)22-13-11-6-5-10(17)7-12(11)14(23-9(2)19)16(21-4)15(13)20-3/h5-7H,1-4H3
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n/an/a 500n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL).


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043371
PNG
(1,8-Dihydroxy-10-[2-(4-methoxy-phenyl)-acetyl]-10H...)
Show SMILES COc1ccc(CC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc23)cc1
Show InChI InChI=1S/C23H18O5/c1-28-14-10-8-13(9-11-14)12-19(26)20-15-4-2-6-17(24)21(15)23(27)22-16(20)5-3-7-18(22)25/h2-11,20,24-25H,12H2,1H3
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n/an/a 500n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL).


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043355
PNG
(10-[2-(4-Benzyloxy-phenyl)-acetyl]-1,8-dihydroxy-1...)
Show SMILES Oc1cccc2C(C(=O)Cc3ccc(OCc4ccccc4)cc3)c3cccc(O)c3C(=O)c12
Show InChI InChI=1S/C29H22O5/c30-23-10-4-8-21-26(22-9-5-11-24(31)28(22)29(33)27(21)23)25(32)16-18-12-14-20(15-13-18)34-17-19-6-2-1-3-7-19/h1-15,26,30-31H,16-17H2
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n/an/a 600n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL).


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
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 1.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for the inhibition of lipid peroxidation in bovine brain phospholipid liposomes


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-lipoxygenase


(Bos taurus)
BDBM50043373
PNG
(10-[2-(3,4-Dihydroxy-phenyl)-acetyl]-1,8-dihydroxy...)
Show SMILES Oc1ccc(CC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc23)cc1O
Show InChI InChI=1S/C22H16O6/c23-14-8-7-11(9-17(14)26)10-18(27)19-12-3-1-5-15(24)20(12)22(28)21-13(19)4-2-6-16(21)25/h1-9,19,23-26H,10H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for the inhibition of lipid peroxidation in bovine brain phospholipid liposomes


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043368
PNG
(1,8-Dihydroxy-10-[3-(4-methoxy-phenyl)-propionyl]-...)
Show SMILES COc1ccc(CCC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc23)cc1
Show InChI InChI=1S/C24H20O5/c1-29-15-11-8-14(9-12-15)10-13-20(27)21-16-4-2-6-18(25)22(16)24(28)23-17(21)5-3-7-19(23)26/h2-9,11-12,21,25-26H,10,13H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL).


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043363
PNG
(1,8-Dihydroxy-10-[3-(4-hydroxy-phenyl)-propionyl]-...)
Show SMILES Oc1ccc(CCC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc23)cc1
Show InChI InChI=1S/C23H18O5/c24-14-10-7-13(8-11-14)9-12-19(27)20-15-3-1-5-17(25)21(15)23(28)22-16(20)4-2-6-18(22)26/h1-8,10-11,20,24-26H,9,12H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL).


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043367
PNG
(10-[2-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-acetyl]...)
Show SMILES CC(C)(C)c1cc(CC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc23)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C30H32O5/c1-29(2,3)19-13-16(14-20(27(19)34)30(4,5)6)15-23(33)24-17-9-7-11-21(31)25(17)28(35)26-18(24)10-8-12-22(26)32/h7-14,24,31-32,34H,15H2,1-6H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for the inhibition of lipid peroxidation in bovine brain phospholipid liposomes


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043366
PNG
(10-[3-(4-Benzyloxy-phenyl)-propionyl]-1,8-dihydrox...)
Show SMILES Oc1cccc2C(C(=O)CCc3ccc(OCc4ccccc4)cc3)c3cccc(O)c3C(=O)c12
Show InChI InChI=1S/C30H24O5/c31-24-10-4-8-22-27(23-9-5-11-25(32)29(23)30(34)28(22)24)26(33)17-14-19-12-15-21(16-13-19)35-18-20-6-2-1-3-7-20/h1-13,15-16,27,31-32H,14,17-18H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL).


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043347
PNG
(1,8-Dihydroxy-10-(3-phenyl-propylidene)-10H-anthra...)
Show SMILES [#8]-c1cccc2\[#6](=[#6]/[#6]-[#6]-c3ccccc3)-c3cccc(-[#8])c3-[#6](=O)-c12
Show InChI InChI=1S/C23H18O3/c24-19-13-5-11-17-16(10-4-9-15-7-2-1-3-8-15)18-12-6-14-20(25)22(18)23(26)21(17)19/h1-3,5-8,10-14,24-25H,4,9H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for the inhibition of lipid peroxidation in bovine brain phospholipid liposomes


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043354
PNG
(1,8-Dihydroxy-10-phenylacetyl-10H-anthracen-9-one ...)
Show SMILES Oc1cccc2C(C(=O)Cc3ccccc3)c3cccc(O)c3C(=O)c12
Show InChI InChI=1S/C22H16O4/c23-16-10-4-8-14-19(18(25)12-13-6-2-1-3-7-13)15-9-5-11-17(24)21(15)22(26)20(14)16/h1-11,19,23-24H,12H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for the inhibition of lipid peroxidation in bovine brain phospholipid liposomes


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043362
PNG
(1,8-Dihydroxy-10-[2-(3,4,5-trihydroxy-phenyl)-acet...)
Show SMILES Oc1cccc2C(C(=O)Cc3cc(O)c(O)c(O)c3)c3cccc(O)c3C(=O)c12
Show InChI InChI=1S/C22H16O7/c23-13-5-1-3-11-18(12-4-2-6-14(24)20(12)22(29)19(11)13)15(25)7-10-8-16(26)21(28)17(27)9-10/h1-6,8-9,18,23-24,26-28H,7H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for the inhibition of lipid peroxidation in bovine brain phospholipid liposomes


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043348
PNG
(1,8-Dihydroxy-10-(4-nitro-benzylidene)-10H-anthrac...)
Show SMILES [#8]-c1cccc2\[#6](=[#6]\c3ccc(cc3)-[#7+](-[#8-])=O)-c3cccc(-[#8])c3-[#6](=O)-c12
Show InChI InChI=1S/C21H13NO5/c23-17-5-1-3-14-16(11-12-7-9-13(10-8-12)22(26)27)15-4-2-6-18(24)20(15)21(25)19(14)17/h1-11,23-24H
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL).


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043352
PNG
(10-(3,4-Dihydroxy-benzylidene)-1,8-dihydroxy-10H-a...)
Show SMILES [#8]-c1ccc(\[#6]=[#6]-2\c3cccc(-[#8])c3-[#6](=O)-c3c(-[#8])cccc-23)cc1-[#8]
Show InChI InChI=1S/C21H14O5/c22-15-8-7-11(10-18(15)25)9-14-12-3-1-5-16(23)19(12)21(26)20-13(14)4-2-6-17(20)24/h1-10,22-25H
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for the inhibition of lipid peroxidation in bovine brain phospholipid liposomes


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043364
PNG
(1,8-Dihydroxy-10-(5-phenyl-pentanoyl)-10H-anthrace...)
Show SMILES Oc1cccc2C(C(=O)CCCCc3ccccc3)c3cccc(O)c3C(=O)c12
Show InChI InChI=1S/C25H22O4/c26-19(13-5-4-10-16-8-2-1-3-9-16)22-17-11-6-14-20(27)23(17)25(29)24-18(22)12-7-15-21(24)28/h1-3,6-9,11-12,14-15,22,27-28H,4-5,10,13H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL).


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043357
PNG
(1,8-Dihydroxy-10-(3-phenyl-propionyl)-10H-anthrace...)
Show SMILES Oc1cccc2C(C(=O)CCc3ccccc3)c3cccc(O)c3C(=O)c12
Show InChI InChI=1S/C23H18O4/c24-17-10-4-8-15-20(19(26)13-12-14-6-2-1-3-7-14)16-9-5-11-18(25)22(16)23(27)21(15)17/h1-11,20,24-25H,12-13H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for the inhibition of lipid peroxidation in bovine brain phospholipid liposomes


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043359
PNG
(1,8-Dihydroxy-10-[2-(4-hydroxy-phenyl)-acetyl]-10H...)
Show SMILES Oc1ccc(CC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc23)cc1
Show InChI InChI=1S/C22H16O5/c23-13-9-7-12(8-10-13)11-18(26)19-14-3-1-5-16(24)20(14)22(27)21-15(19)4-2-6-17(21)25/h1-10,19,23-25H,11H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for the inhibition of lipid peroxidation in bovine brain phospholipid liposomes


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043356
PNG
(1,8-Dihydroxy-10-[2-(4-nitro-phenyl)-acetyl]-10H-a...)
Show SMILES Oc1cccc2C(C(=O)Cc3ccc(cc3)[N+]([O-])=O)c3cccc(O)c3C(=O)c12
Show InChI InChI=1S/C22H15NO6/c24-16-5-1-3-14-19(15-4-2-6-17(25)21(15)22(27)20(14)16)18(26)11-12-7-9-13(10-8-12)23(28)29/h1-10,19,24-25H,11H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for the inhibition of lipid peroxidation in bovine brain phospholipid liposomes


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043353
PNG
(1,8-Dihydroxy-10-(3,4,5-trihydroxy-benzylidene)-10...)
Show SMILES [#8]-c1cc(\[#6]=[#6]-2\c3cccc(-[#8])c3-[#6](=O)-c3c(-[#8])cccc-23)cc(-[#8])c1-[#8]
Show InChI InChI=1S/C21H14O6/c22-14-5-1-3-11-13(7-10-8-16(24)20(26)17(25)9-10)12-4-2-6-15(23)19(12)21(27)18(11)14/h1-9,22-26H
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for the inhibition of lipid peroxidation in bovine brain phospholipid liposomes


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043358
PNG
((E)-1,8-Dihydroxy-10-[3-(3-methoxy-phenyl)-acryloy...)
Show SMILES COc1cccc(C=CC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc23)c1 |w:7.6|
Show InChI InChI=1S/C24H18O5/c1-29-15-6-2-5-14(13-15)11-12-20(27)21-16-7-3-9-18(25)22(16)24(28)23-17(21)8-4-10-19(23)26/h2-13,21,25-26H,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL).


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043346
PNG
(1,8-Dihydroxy-10-(4-hydroxy-benzylidene)-10H-anthr...)
Show SMILES [#8]-c1ccc(\[#6]=[#6]-2/c3cccc(-[#8])c3-[#6](=O)-c3c(-[#8])cccc-23)cc1
Show InChI InChI=1S/C21H14O4/c22-13-9-7-12(8-10-13)11-16-14-3-1-5-17(23)19(14)21(25)20-15(16)4-2-6-18(20)24/h1-11,22-24H
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n/an/a 4.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL).


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043349
PNG
(1,8-Dihydroxy-10-phenethylidene-10H-anthracen-9-on...)
Show SMILES [#8]-c1cccc2\[#6](=[#6]\[#6]-c3ccccc3)-c3cccc(-[#8])c3-[#6](=O)-c12
Show InChI InChI=1S/C22H16O3/c23-18-10-4-8-16-15(13-12-14-6-2-1-3-7-14)17-9-5-11-19(24)21(17)22(25)20(16)18/h1-11,13,23-24H,12H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for the inhibition of lipid peroxidation in bovine brain phospholipid liposomes


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043351
PNG
(10-Butyryl-1,8-dihydroxy-10H-anthracen-9-one(Butan...)
Show SMILES CCCC(=O)C1c2cccc(O)c2C(=O)c2c(O)cccc12
Show InChI InChI=1S/C18H16O4/c1-2-5-12(19)15-10-6-3-8-13(20)16(10)18(22)17-11(15)7-4-9-14(17)21/h3-4,6-9,15,20-21H,2,5H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for the inhibition of lipid peroxidation in bovine brain phospholipid liposomes


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043347
PNG
(1,8-Dihydroxy-10-(3-phenyl-propylidene)-10H-anthra...)
Show SMILES [#8]-c1cccc2\[#6](=[#6]/[#6]-[#6]-c3ccccc3)-c3cccc(-[#8])c3-[#6](=O)-c12
Show InChI InChI=1S/C23H18O3/c24-19-13-5-11-17-16(10-4-9-15-7-2-1-3-8-15)18-12-6-14-20(25)22(18)23(26)21(17)19/h1-3,5-8,10-14,24-25H,4,9H2
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n/an/a 6.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL).


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043372
PNG
((E)-1,8-Dihydroxy-10-[3-(4-nitro-phenyl)-acryloyl]...)
Show SMILES Oc1cccc2C(C(=O)C=Cc3ccc(cc3)[N+]([O-])=O)c3cccc(O)c3C(=O)c12 |w:10.10|
Show InChI InChI=1S/C23H15NO6/c25-17-5-1-3-15-20(16-4-2-6-18(26)22(16)23(28)21(15)17)19(27)12-9-13-7-10-14(11-8-13)24(29)30/h1-12,20,25-26H
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n/an/a 6.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL).


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043356
PNG
(1,8-Dihydroxy-10-[2-(4-nitro-phenyl)-acetyl]-10H-a...)
Show SMILES Oc1cccc2C(C(=O)Cc3ccc(cc3)[N+]([O-])=O)c3cccc(O)c3C(=O)c12
Show InChI InChI=1S/C22H15NO6/c24-16-5-1-3-14-19(15-4-2-6-17(25)21(15)22(27)20(14)16)18(26)11-12-7-9-13(10-8-12)23(28)29/h1-10,19,24-25H,11H2
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n/an/a 7.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL).


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043361
PNG
(10-Benzylidene-1,8-dihydroxy-10H-anthracen-9-one |...)
Show SMILES [#8]-c1cccc2\[#6](=[#6]\c3ccccc3)-c3cccc(-[#8])c3-[#6](=O)-c12
Show InChI InChI=1S/C21H14O3/c22-17-10-4-8-14-16(12-13-6-2-1-3-7-13)15-9-5-11-18(23)20(15)21(24)19(14)17/h1-12,22-23H
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n/an/a 8.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for the inhibition of lipid peroxidation in bovine brain phospholipid liposomes


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043346
PNG
(1,8-Dihydroxy-10-(4-hydroxy-benzylidene)-10H-anthr...)
Show SMILES [#8]-c1ccc(\[#6]=[#6]-2/c3cccc(-[#8])c3-[#6](=O)-c3c(-[#8])cccc-23)cc1
Show InChI InChI=1S/C21H14O4/c22-13-9-7-12(8-10-13)11-16-14-3-1-5-17(23)19(14)21(25)20-15(16)4-2-6-18(20)24/h1-11,22-24H
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n/an/a 8.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for the inhibition of lipid peroxidation in bovine brain phospholipid liposomes


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043367
PNG
(10-[2-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-acetyl]...)
Show SMILES CC(C)(C)c1cc(CC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc23)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C30H32O5/c1-29(2,3)19-13-16(14-20(27(19)34)30(4,5)6)15-23(33)24-17-9-7-11-21(31)25(17)28(35)26-18(24)10-8-12-22(26)32/h7-14,24,31-32,34H,15H2,1-6H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL).


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043354
PNG
(1,8-Dihydroxy-10-phenylacetyl-10H-anthracen-9-one ...)
Show SMILES Oc1cccc2C(C(=O)Cc3ccccc3)c3cccc(O)c3C(=O)c12
Show InChI InChI=1S/C22H16O4/c23-16-10-4-8-14-19(18(25)12-13-6-2-1-3-7-13)15-9-5-11-17(24)21(15)22(26)20(14)16/h1-11,19,23-24H,12H2
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n/an/a 1.10E+4n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL).


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043373
PNG
(10-[2-(3,4-Dihydroxy-phenyl)-acetyl]-1,8-dihydroxy...)
Show SMILES Oc1ccc(CC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc23)cc1O
Show InChI InChI=1S/C22H16O6/c23-14-8-7-11(9-17(14)26)10-18(27)19-12-3-1-5-15(24)20(12)22(28)21-13(19)4-2-6-16(21)25/h1-9,19,23-26H,10H2
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n/an/a 1.10E+4n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL).


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50041802
PNG
(1,8-dihydroxy-9(10H)-anthracenone | 1,8-dihydroxy-...)
Show SMILES Oc1cccc2Cc3cccc(O)c3C(=O)c12
Show InChI InChI=1S/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-6,15-16H,7H2
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n/an/a 1.20E+4n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for the inhibition of lipid peroxidation in bovine brain phospholipid liposomes


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043348
PNG
(1,8-Dihydroxy-10-(4-nitro-benzylidene)-10H-anthrac...)
Show SMILES [#8]-c1cccc2\[#6](=[#6]\c3ccc(cc3)-[#7+](-[#8-])=O)-c3cccc(-[#8])c3-[#6](=O)-c12
Show InChI InChI=1S/C21H13NO5/c23-17-5-1-3-14-16(11-12-7-9-13(10-8-12)22(26)27)15-4-2-6-18(24)20(15)21(25)19(14)17/h1-11,23-24H
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n/an/a 1.40E+4n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for the inhibition of lipid peroxidation in bovine brain phospholipid liposomes


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043359
PNG
(1,8-Dihydroxy-10-[2-(4-hydroxy-phenyl)-acetyl]-10H...)
Show SMILES Oc1ccc(CC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc23)cc1
Show InChI InChI=1S/C22H16O5/c23-13-9-7-12(8-10-13)11-18(26)19-14-3-1-5-16(24)20(14)22(27)21-15(19)4-2-6-17(21)25/h1-10,19,23-25H,11H2
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n/an/a 1.40E+4n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL).


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043365
PNG
(1,8-Dihydroxy-10-[3-(3,4,5-trimethoxy-phenyl)-prop...)
Show SMILES COc1cc(CCC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc23)cc(OC)c1OC
Show InChI InChI=1S/C26H24O7/c1-31-20-12-14(13-21(32-2)26(20)33-3)10-11-19(29)22-15-6-4-8-17(27)23(15)25(30)24-16(22)7-5-9-18(24)28/h4-9,12-13,22,27-28H,10-11H2,1-3H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL).


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043350
PNG
(10-[3-(3,4-Dimethoxy-phenyl)-propionyl]-1,8-dihydr...)
Show SMILES COc1ccc(CCC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc23)cc1OC
Show InChI InChI=1S/C25H22O6/c1-30-20-12-10-14(13-21(20)31-2)9-11-19(28)22-15-5-3-7-17(26)23(15)25(29)24-16(22)6-4-8-18(24)27/h3-8,10,12-13,22,26-27H,9,11H2,1-2H3
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n/an/a 1.70E+4n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL).


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043370
PNG
((E)-1,8-Dihydroxy-10-(3-phenyl-acryloyl)-10H-anthr...)
Show SMILES Oc1cccc2C(C(=O)C=Cc3ccccc3)c3cccc(O)c3C(=O)c12 |w:10.10|
Show InChI InChI=1S/C23H16O4/c24-17-10-4-8-15-20(19(26)13-12-14-6-2-1-3-7-14)16-9-5-11-18(25)22(16)23(27)21(15)17/h1-13,20,24-25H
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n/an/a 1.70E+4n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL).


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50043351
PNG
(10-Butyryl-1,8-dihydroxy-10H-anthracen-9-one(Butan...)
Show SMILES CCCC(=O)C1c2cccc(O)c2C(=O)c2c(O)cccc12
Show InChI InChI=1S/C18H16O4/c1-2-5-12(19)15-10-6-3-8-13(20)16(10)18(22)17-11(15)7-4-9-14(17)21/h3-4,6-9,15,20-21H,2,5H2,1H3
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n/an/a 3.30E+4n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL).


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50041802
PNG
(1,8-dihydroxy-9(10H)-anthracenone | 1,8-dihydroxy-...)
Show SMILES Oc1cccc2Cc3cccc(O)c3C(=O)c12
Show InChI InChI=1S/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-6,15-16H,7H2
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n/an/a 3.70E+4n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL).


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50004677
PNG
(Acetic acid 4-acetoxy-6-chloro-2,3-dimethoxy-napht...)
Show SMILES COc1c(OC)c(OC(C)=O)c2cc(Cl)ccc2c1OC(C)=O
Show InChI InChI=1S/C16H15ClO6/c1-8(18)22-13-11-6-5-10(17)7-12(11)14(23-9(2)19)16(21-4)15(13)20-3/h5-7H,1-4H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for the inhibition of lipid peroxidation in bovine brain phospholipid liposomes


J Med Chem 36: 4099-107 (1994)


BindingDB Entry DOI: 10.7270/Q2G44PC2
More data for this
Ligand-Target Pair