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Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'cornicelli' and Initial = 'ja'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50286954
PNG
(CHEMBL176689 | N-{4-[3-(3,4-Dihydroxy-phenyl)-prop...)
Show SMILES Oc1ccc(CCCc2ccc(NC(=O)c3ccccc3O)cc2)cc1O
Show InChI InChI=1S/C22H21NO4/c24-19-7-2-1-6-18(19)22(27)23-17-11-8-15(9-12-17)4-3-5-16-10-13-20(25)21(26)14-16/h1-2,6-14,24-26H,3-5H2,(H,23,27)
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n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit reticulocyte 15-lipoxygenase was evaluated by measuring inhibition of the conversion of linoleic acid to hydropero...


Bioorg Med Chem Lett 6: 93-96 (1996)


Article DOI: 10.1016/0960-894X(95)00565-B
BindingDB Entry DOI: 10.7270/Q2VM4C7S
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50286969
PNG
(CHEMBL367410 | N-{4-[2-(3,4-Dihydroxy-phenyl)-ethy...)
Show SMILES Oc1ccc(CCc2ccc(NC(=O)c3ccccc3O)cc2)cc1O
Show InChI InChI=1S/C21H19NO4/c23-18-4-2-1-3-17(18)21(26)22-16-10-7-14(8-11-16)5-6-15-9-12-19(24)20(25)13-15/h1-4,7-13,23-25H,5-6H2,(H,22,26)
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n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against reticulocyte 15-lipoxygenase in rabbit was evaluated.


Bioorg Med Chem Lett 6: 93-96 (1996)


Article DOI: 10.1016/0960-894X(95)00565-B
BindingDB Entry DOI: 10.7270/Q2VM4C7S
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50286964
PNG
(CHEMBL177100 | N-{4-[4-(3,4-Dihydroxy-phenyl)-buty...)
Show SMILES Oc1ccc(CCCCc2ccc(NC(=O)c3ccccc3O)cc2)cc1O
Show InChI InChI=1S/C23H23NO4/c25-20-8-4-3-7-19(20)23(28)24-18-12-9-16(10-13-18)5-1-2-6-17-11-14-21(26)22(27)15-17/h3-4,7-15,25-27H,1-2,5-6H2,(H,24,28)
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n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit reticulocyte 15-lipoxygenase was evaluated by measuring inhibition of the conversion of linoleic acid to hydropero...


Bioorg Med Chem Lett 6: 93-96 (1996)


Article DOI: 10.1016/0960-894X(95)00565-B
BindingDB Entry DOI: 10.7270/Q2VM4C7S
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50286956
PNG
(1-Hydroxy-naphthalene-2-carboxylic acid {4-[2-(3,4...)
Show SMILES Oc1ccc(CCc2ccc(NC(=O)c3ccc4ccccc4c3O)cc2)cc1O
Show InChI InChI=1S/C25H21NO4/c27-22-14-9-17(15-23(22)28)6-5-16-7-11-19(12-8-16)26-25(30)21-13-10-18-3-1-2-4-20(18)24(21)29/h1-4,7-15,27-29H,5-6H2,(H,26,30)
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n/an/a 400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit reticulocyte 15-lipoxygenase was evaluated by measuring inhibition of the conversion of linoleic acid to hydropero...


Bioorg Med Chem Lett 6: 93-96 (1996)


Article DOI: 10.1016/0960-894X(95)00565-B
BindingDB Entry DOI: 10.7270/Q2VM4C7S
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50286960
PNG
(CHEMBL175216 | N-{4-[2-(3,4-Dihydroxy-phenyl)-ethy...)
Show SMILES Cc1ccc(C(=O)Nc2ccc(CCc3ccc(O)c(O)c3)cc2)c(O)c1
Show InChI InChI=1S/C22H21NO4/c1-14-2-10-18(20(25)12-14)22(27)23-17-8-5-15(6-9-17)3-4-16-7-11-19(24)21(26)13-16/h2,5-13,24-26H,3-4H2,1H3,(H,23,27)
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n/an/a 400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit reticulocyte 15-lipoxygenase was evaluated by measuring inhibition of the conversion of linoleic acid to hydropero...


Bioorg Med Chem Lett 6: 93-96 (1996)


Article DOI: 10.1016/0960-894X(95)00565-B
BindingDB Entry DOI: 10.7270/Q2VM4C7S
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM22372
PNG
(4-[(2R,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbut...)
Show SMILES C[C@@H](Cc1ccc(O)c(O)c1)[C@H](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/t11-,12+
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n/an/a 400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat basophilic leukemia cell 5-lipoxygenase


Bioorg Med Chem Lett 6: 93-96 (1996)


Article DOI: 10.1016/0960-894X(95)00565-B
BindingDB Entry DOI: 10.7270/Q2VM4C7S
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50286963
PNG
(4-Chloro-N-{4-[2-(3,4-dihydroxy-phenyl)-ethyl]-phe...)
Show SMILES Oc1ccc(CCc2ccc(NC(=O)c3ccc(Cl)cc3O)cc2)cc1O
Show InChI InChI=1S/C21H18ClNO4/c22-15-6-9-17(19(25)12-15)21(27)23-16-7-3-13(4-8-16)1-2-14-5-10-18(24)20(26)11-14/h3-12,24-26H,1-2H2,(H,23,27)
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n/an/a 400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit reticulocyte 15-lipoxygenase was evaluated by measuring inhibition of the conversion of linoleic acid to hydropero...


Bioorg Med Chem Lett 6: 93-96 (1996)


Article DOI: 10.1016/0960-894X(95)00565-B
BindingDB Entry DOI: 10.7270/Q2VM4C7S
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50286959
PNG
(2-Hydroxy-naphthalene-1-carboxylic acid {4-[2-(3,4...)
Show SMILES Oc1ccc(CCc2ccc(NC(=O)c3c(O)ccc4ccccc34)cc2)cc1O
Show InChI InChI=1S/C25H21NO4/c27-21-13-9-17(15-23(21)29)6-5-16-7-11-19(12-8-16)26-25(30)24-20-4-2-1-3-18(20)10-14-22(24)28/h1-4,7-15,27-29H,5-6H2,(H,26,30)
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n/an/a 600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit reticulocyte 15-lipoxygenase was evaluated by measuring inhibition of the conversion of linoleic acid to hydropero...


Bioorg Med Chem Lett 6: 93-96 (1996)


Article DOI: 10.1016/0960-894X(95)00565-B
BindingDB Entry DOI: 10.7270/Q2VM4C7S
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50286958
PNG
(3-Chloro-N-{4-[2-(3,4-dihydroxy-phenyl)-ethyl]-phe...)
Show SMILES Oc1ccc(CCc2ccc(NC(=O)c3cccc(Cl)c3O)cc2)cc1O
Show InChI InChI=1S/C21H18ClNO4/c22-17-3-1-2-16(20(17)26)21(27)23-15-9-6-13(7-10-15)4-5-14-8-11-18(24)19(25)12-14/h1-3,6-12,24-26H,4-5H2,(H,23,27)
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n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit reticulocyte 15-lipoxygenase was evaluated by measuring inhibition of the conversion of linoleic acid to hydropero...


Bioorg Med Chem Lett 6: 93-96 (1996)


Article DOI: 10.1016/0960-894X(95)00565-B
BindingDB Entry DOI: 10.7270/Q2VM4C7S
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50286967
PNG
(5-Bromo-N-{4-[2-(3,4-dihydroxy-phenyl)-ethyl]-phen...)
Show SMILES Oc1ccc(CCc2ccc(NC(=O)c3cc(Br)ccc3O)cc2)cc1O
Show InChI InChI=1S/C21H18BrNO4/c22-15-6-10-18(24)17(12-15)21(27)23-16-7-3-13(4-8-16)1-2-14-5-9-19(25)20(26)11-14/h3-12,24-26H,1-2H2,(H,23,27)
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n/an/a 1.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit reticulocyte 15-lipoxygenase was evaluated by measuring inhibition of the conversion of linoleic acid to hydropero...


Bioorg Med Chem Lett 6: 93-96 (1996)


Article DOI: 10.1016/0960-894X(95)00565-B
BindingDB Entry DOI: 10.7270/Q2VM4C7S
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM22372
PNG
(4-[(2R,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbut...)
Show SMILES C[C@@H](Cc1ccc(O)c(O)c1)[C@H](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/t11-,12+
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n/an/a 4.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit reticulocyte 15-lipoxygenase was evaluated by measuring inhibition of the conversion of linoleic acid to hydropero...


Bioorg Med Chem Lett 6: 93-96 (1996)


Article DOI: 10.1016/0960-894X(95)00565-B
BindingDB Entry DOI: 10.7270/Q2VM4C7S
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50286965
PNG
(CHEMBL177098 | N-{4-[2-(3,4-Dihydroxy-phenyl)-ethy...)
Show SMILES CN(C(=O)c1ccc(C)cc1O)c1ccc(CCc2ccc(O)c(O)c2)cc1
Show InChI InChI=1S/C23H23NO4/c1-15-3-11-19(21(26)13-15)23(28)24(2)18-9-6-16(7-10-18)4-5-17-8-12-20(25)22(27)14-17/h3,6-14,25-27H,4-5H2,1-2H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit reticulocyte 15-lipoxygenase was evaluated by measuring inhibition of the conversion of linoleic acid to hydropero...


Bioorg Med Chem Lett 6: 93-96 (1996)


Article DOI: 10.1016/0960-894X(95)00565-B
BindingDB Entry DOI: 10.7270/Q2VM4C7S
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50286957
PNG
(CHEMBL177171 | N-{4-[2-(3,4-Dihydroxy-phenyl)-ethy...)
Show SMILES Oc1ccc(C(=O)Nc2ccc(CCc3ccc(O)c(O)c3)cc2)c(O)c1
Show InChI InChI=1S/C21H19NO5/c23-16-8-9-17(19(25)12-16)21(27)22-15-6-3-13(4-7-15)1-2-14-5-10-18(24)20(26)11-14/h3-12,23-26H,1-2H2,(H,22,27)
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n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit reticulocyte 15-lipoxygenase was evaluated by measuring inhibition of the conversion of linoleic acid to hydropero...


Bioorg Med Chem Lett 6: 93-96 (1996)


Article DOI: 10.1016/0960-894X(95)00565-B
BindingDB Entry DOI: 10.7270/Q2VM4C7S
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM22372
PNG
(4-[(2R,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbut...)
Show SMILES C[C@@H](Cc1ccc(O)c(O)c1)[C@H](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/t11-,12+
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n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human platelet 12-lipoxygenase


Bioorg Med Chem Lett 6: 93-96 (1996)


Article DOI: 10.1016/0960-894X(95)00565-B
BindingDB Entry DOI: 10.7270/Q2VM4C7S
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50286961
PNG
(2-Hydroxy-N-{4-[2-(4-hydroxy-3-methoxy-phenyl)-eth...)
Show SMILES COc1cc(CCc2ccc(NC(=O)c3ccc(C)cc3O)cc2)ccc1O
Show InChI InChI=1S/C23H23NO4/c1-15-3-11-19(21(26)13-15)23(27)24-18-9-6-16(7-10-18)4-5-17-8-12-20(25)22(14-17)28-2/h3,6-14,25-26H,4-5H2,1-2H3,(H,24,27)
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n/an/a>2.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit reticulocyte 15-lipoxygenase was evaluated by measuring inhibition of the conversion of linoleic acid to hydropero...


Bioorg Med Chem Lett 6: 93-96 (1996)


Article DOI: 10.1016/0960-894X(95)00565-B
BindingDB Entry DOI: 10.7270/Q2VM4C7S
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50286968
PNG
(CHEMBL176634 | N-{4-[2-(3,4-Dihydroxy-phenyl)-ethy...)
Show SMILES OC(=O)c1cccc(C(=O)Nc2ccc(CCc3ccc(O)c(O)c3)cc2)c1O
Show InChI InChI=1S/C22H19NO6/c24-18-11-8-14(12-19(18)25)5-4-13-6-9-15(10-7-13)23-21(27)16-2-1-3-17(20(16)26)22(28)29/h1-3,6-12,24-26H,4-5H2,(H,23,27)(H,28,29)
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n/an/a>2.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit reticulocyte 15-lipoxygenase was evaluated by measuring inhibition of the conversion of linoleic acid to hydropero...


Bioorg Med Chem Lett 6: 93-96 (1996)


Article DOI: 10.1016/0960-894X(95)00565-B
BindingDB Entry DOI: 10.7270/Q2VM4C7S
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50286966
PNG
(CHEMBL175315 | N-{4-[2-(3,4-Dimethoxy-phenyl)-ethy...)
Show SMILES COc1ccc(CCc2ccc(NC(=O)c3ccccc3O)cc2)cc1OC
Show InChI InChI=1S/C23H23NO4/c1-27-21-14-11-17(15-22(21)28-2)8-7-16-9-12-18(13-10-16)24-23(26)19-5-3-4-6-20(19)25/h3-6,9-15,25H,7-8H2,1-2H3,(H,24,26)
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n/an/a>2.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit reticulocyte 15-lipoxygenase was evaluated by measuring inhibition of the conversion of linoleic acid to hydropero...


Bioorg Med Chem Lett 6: 93-96 (1996)


Article DOI: 10.1016/0960-894X(95)00565-B
BindingDB Entry DOI: 10.7270/Q2VM4C7S
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50286955
PNG
(3-Hydroxy-biphenyl-4-carboxylic acid {4-[2-(3,4-di...)
Show SMILES Oc1ccc(CCc2ccc(NC(=O)c3ccc(cc3O)-c3ccccc3)cc2)cc1O
Show InChI InChI=1S/C27H23NO4/c29-24-15-10-19(16-26(24)31)7-6-18-8-12-22(13-9-18)28-27(32)23-14-11-21(17-25(23)30)20-4-2-1-3-5-20/h1-5,8-17,29-31H,6-7H2,(H,28,32)
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n/an/a>2.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit reticulocyte 15-lipoxygenase was evaluated by measuring inhibition of the conversion of linoleic acid to hydropero...


Bioorg Med Chem Lett 6: 93-96 (1996)


Article DOI: 10.1016/0960-894X(95)00565-B
BindingDB Entry DOI: 10.7270/Q2VM4C7S
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50286962
PNG
(3'-{4-[2-(3,4-Dihydroxy-phenyl)-ethyl]-phenylcarba...)
Show SMILES OC(=O)c1ccccc1-c1cccc(C(=O)Nc2ccc(CCc3ccc(O)c(O)c3)cc2)c1O
Show InChI InChI=1S/C28H23NO6/c30-24-15-12-18(16-25(24)31)9-8-17-10-13-19(14-11-17)29-27(33)23-7-3-6-21(26(23)32)20-4-1-2-5-22(20)28(34)35/h1-7,10-16,30-32H,8-9H2,(H,29,33)(H,34,35)
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n/an/a>2.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit reticulocyte 15-lipoxygenase was evaluated by measuring inhibition of the conversion of linoleic acid to hydropero...


Bioorg Med Chem Lett 6: 93-96 (1996)


Article DOI: 10.1016/0960-894X(95)00565-B
BindingDB Entry DOI: 10.7270/Q2VM4C7S
More data for this
Ligand-Target Pair