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Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 2579   
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


(Oryctolagus cuniculus (rabbit))
BDBM22266
PNG
(2,4,5-tri-substituted imidazole, 21n | {ethyl[(3R)...)
Show SMILES [H][C@]1(CCN(C1)C(C)c1ccc(F)cc1)N(CC)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1cccs1 |r|
Show InChI InChI=1S/C30H36FN5O3S2/c1-4-36(25-16-18-35(20-25)21(2)22-7-11-24(31)12-8-22)41(37,38)32-17-15-27-29(23-9-13-26(39-3)14-10-23)34-30(33-27)28-6-5-19-40-28/h5-14,19,21,25,32H,4,15-18,20H2,1-3H3,(H,33,34)/t21?,25-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 17: 5115-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.011
BindingDB Entry DOI: 10.7270/Q2XW4H31
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM22249
PNG
(2,4,5-tri-substituted imidazole, 14n | N-{2-[5-(4-...)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1cccs1
Show InChI InChI=1S/C27H31N3O3S2/c1-3-4-5-7-20-9-15-23(16-10-20)35(31,32)28-18-17-24-26(21-11-13-22(33-2)14-12-21)30-27(29-24)25-8-6-19-34-25/h6,8-16,19,28H,3-5,7,17-18H2,1-2H3,(H,29,30)
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Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 17: 5115-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.011
BindingDB Entry DOI: 10.7270/Q2XW4H31
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM22265
PNG
(2,4,5-tri-substituted imidazole, 21m | {ethyl[(3R)...)
Show SMILES [H][C@]1(CCN(C1)C(C)(C)c1ccccc1)N(CC)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1cccs1 |r|
Show InChI InChI=1S/C31H39N5O3S2/c1-5-36(25-18-20-35(22-25)31(2,3)24-10-7-6-8-11-24)41(37,38)32-19-17-27-29(23-13-15-26(39-4)16-14-23)34-30(33-27)28-12-9-21-40-28/h6-16,21,25,32H,5,17-20,22H2,1-4H3,(H,33,34)/t25-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 17: 5115-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.011
BindingDB Entry DOI: 10.7270/Q2XW4H31
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM22264
PNG
(2,4,5-tri-substituted imidazole, 21l | {[(3R)-1-(3...)
Show SMILES [H][C@]1(CCN(C1)c1ccc(Cl)c(Cl)c1)N(C)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1cccs1 |r|
Show InChI InChI=1S/C27H29Cl2N5O3S2/c1-33(20-12-14-34(17-20)19-7-10-22(28)23(29)16-19)39(35,36)30-13-11-24-26(18-5-8-21(37-2)9-6-18)32-27(31-24)25-4-3-15-38-25/h3-10,15-16,20,30H,11-14,17H2,1-2H3,(H,31,32)/t20-/m1/s1
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Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 17: 5115-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.011
BindingDB Entry DOI: 10.7270/Q2XW4H31
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM22230
PNG
(2,4,5-tri-substituted imidazole, 2 | N-{2-[5-(4-me...)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1ccccc1
Show InChI InChI=1S/C29H33N3O3S/c1-3-4-6-9-22-12-18-26(19-13-22)36(33,34)30-21-20-27-28(23-14-16-25(35-2)17-15-23)32-29(31-27)24-10-7-5-8-11-24/h5,7-8,10-19,30H,3-4,6,9,20-21H2,1-2H3,(H,31,32)
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n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 17: 5115-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.011
BindingDB Entry DOI: 10.7270/Q2XW4H31
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM22253
PNG
(2,4,5-tri-substituted imidazole, 21a | 4-butyl-N-{...)
Show SMILES CCCCN1CCN(CC1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1cccs1
Show InChI InChI=1S/C24H33N5O3S2/c1-3-4-13-28-14-16-29(17-15-28)34(30,31)25-12-11-21-23(19-7-9-20(32-2)10-8-19)27-24(26-21)22-6-5-18-33-22/h5-10,18,25H,3-4,11-17H2,1-2H3,(H,26,27)
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Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 17: 5115-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.011
BindingDB Entry DOI: 10.7270/Q2XW4H31
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM22261
PNG
(2,4,5-tri-substituted imidazole, 21i | {[(3R)-1-be...)
Show SMILES [H][C@]1(CCN(Cc2ccccc2)C1)N(C)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C30H35N5O3S/c1-34(26-18-20-35(22-26)21-23-9-5-3-6-10-23)39(36,37)31-19-17-28-29(24-13-15-27(38-2)16-14-24)33-30(32-28)25-11-7-4-8-12-25/h3-16,26,31H,17-22H2,1-2H3,(H,32,33)/t26-/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 17: 5115-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.011
BindingDB Entry DOI: 10.7270/Q2XW4H31
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM22232
PNG
(2,4,5-tri-substituted imidazole, 6a | N-[2-(2,5-di...)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C28H31N3O2S/c1-2-3-6-11-22-16-18-25(19-17-22)34(32,33)29-21-20-26-27(23-12-7-4-8-13-23)31-28(30-26)24-14-9-5-10-15-24/h4-5,7-10,12-19,29H,2-3,6,11,20-21H2,1H3,(H,30,31)
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n/an/a 33n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 17: 5115-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.011
BindingDB Entry DOI: 10.7270/Q2XW4H31
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM22256
PNG
(2,4,5-tri-substituted imidazole, 21d | 4-(3,4-dich...)
Show SMILES COc1ccc(cc1)-c1nc([nH]c1CCNS(=O)(=O)N1CCN(CC1)c1ccc(Cl)c(Cl)c1)-c1cccs1
Show InChI InChI=1S/C26H27Cl2N5O3S2/c1-36-20-7-4-18(5-8-20)25-23(30-26(31-25)24-3-2-16-37-24)10-11-29-38(34,35)33-14-12-32(13-15-33)19-6-9-21(27)22(28)17-19/h2-9,16-17,29H,10-15H2,1H3,(H,30,31)
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n/an/a 36n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 17: 5115-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.011
BindingDB Entry DOI: 10.7270/Q2XW4H31
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM22263
PNG
(2,4,5-tri-substituted imidazole, 21k | {[(3R)-1-be...)
Show SMILES [H][C@]1(CCN(Cc2ccccc2)C1)N(C)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1cccs1 |r|
Show InChI InChI=1S/C28H33N5O3S2/c1-32(23-15-17-33(20-23)19-21-7-4-3-5-8-21)38(34,35)29-16-14-25-27(22-10-12-24(36-2)13-11-22)31-28(30-25)26-9-6-18-37-26/h3-13,18,23,29H,14-17,19-20H2,1-2H3,(H,30,31)/t23-/m1/s1
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Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 17: 5115-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.011
BindingDB Entry DOI: 10.7270/Q2XW4H31
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM22255
PNG
(2,4,5-tri-substituted imidazole, 21c | 4-(2-chloro...)
Show SMILES COc1ccc(cc1)-c1nc([nH]c1CCNS(=O)(=O)N1CCN(CC1)c1ccccc1Cl)-c1cccs1
Show InChI InChI=1S/C26H28ClN5O3S2/c1-35-20-10-8-19(9-11-20)25-22(29-26(30-25)24-7-4-18-36-24)12-13-28-37(33,34)32-16-14-31(15-17-32)23-6-3-2-5-21(23)27/h2-11,18,28H,12-17H2,1H3,(H,29,30)
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n/an/a 45n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 17: 5115-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.011
BindingDB Entry DOI: 10.7270/Q2XW4H31
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM22251
PNG
(2,4,5-tri-substituted imidazole, 14p | N-{3-[5-(4-...)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1cccs1
Show InChI InChI=1S/C28H33N3O3S2/c1-3-4-5-8-21-11-17-24(18-12-21)36(32,33)29-19-6-9-25-27(22-13-15-23(34-2)16-14-22)31-28(30-25)26-10-7-20-35-26/h7,10-18,20,29H,3-6,8-9,19H2,1-2H3,(H,30,31)
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n/an/a 53n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 17: 5115-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.011
BindingDB Entry DOI: 10.7270/Q2XW4H31
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM22257
PNG
(2,4,5-tri-substituted imidazole, 21e | 4-(3,4-dich...)
Show SMILES COc1ccc(cc1)-c1nc([nH]c1CCNS(=O)(=O)N1CCN(CC1)c1ccc(Cl)c(Cl)c1)-c1ccccc1
Show InChI InChI=1S/C28H29Cl2N5O3S/c1-38-23-10-7-20(8-11-23)27-26(32-28(33-27)21-5-3-2-4-6-21)13-14-31-39(36,37)35-17-15-34(16-18-35)22-9-12-24(29)25(30)19-22/h2-12,19,31H,13-18H2,1H3,(H,32,33)
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Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 17: 5115-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.011
BindingDB Entry DOI: 10.7270/Q2XW4H31
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM22234
PNG
(2,4,5-tri-substituted imidazole, 6c | N-{2-[5-(4-f...)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(F)cc1)-c1ccccc1
Show InChI InChI=1S/C28H30FN3O2S/c1-2-3-5-8-21-11-17-25(18-12-21)35(33,34)30-20-19-26-27(22-13-15-24(29)16-14-22)32-28(31-26)23-9-6-4-7-10-23/h4,6-7,9-18,30H,2-3,5,8,19-20H2,1H3,(H,31,32)
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Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 17: 5115-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.011
BindingDB Entry DOI: 10.7270/Q2XW4H31
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM22233
PNG
(2,4,5-tri-substituted imidazole, 6b | 4-pentyl-N-(...)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(cc1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C29H30F3N3O2S/c1-2-3-5-8-21-11-17-25(18-12-21)38(36,37)33-20-19-26-27(22-13-15-24(16-14-22)29(30,31)32)35-28(34-26)23-9-6-4-7-10-23/h4,6-7,9-18,33H,2-3,5,8,19-20H2,1H3,(H,34,35)
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n/an/a 72n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 17: 5115-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.011
BindingDB Entry DOI: 10.7270/Q2XW4H31
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM22262
PNG
(2,4,5-tri-substituted imidazole, 21j | {[(3S)-1-be...)
Show SMILES [H][C@@]1(CCN(Cc2ccccc2)C1)N(C)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C30H35N5O3S/c1-34(26-18-20-35(22-26)21-23-9-5-3-6-10-23)39(36,37)31-19-17-28-29(24-13-15-27(38-2)16-14-24)33-30(32-28)25-11-7-4-8-12-25/h3-16,26,31H,17-22H2,1-2H3,(H,32,33)/t26-/m0/s1
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n/an/a 80n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 17: 5115-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.011
BindingDB Entry DOI: 10.7270/Q2XW4H31
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM22235
PNG
(2,4,5-tri-substituted imidazole, 6d | N-{2-[5-(3-m...)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1cccc(OC)c1)-c1ccccc1
Show InChI InChI=1S/C29H33N3O3S/c1-3-4-6-10-22-15-17-26(18-16-22)36(33,34)30-20-19-27-28(24-13-9-14-25(21-24)35-2)32-29(31-27)23-11-7-5-8-12-23/h5,7-9,11-18,21,30H,3-4,6,10,19-20H2,1-2H3,(H,31,32)
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n/an/a 82n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 17: 5115-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.011
BindingDB Entry DOI: 10.7270/Q2XW4H31
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM22259
PNG
(2,4,5-tri-substituted imidazole, 21g | {[(3R)-1-be...)
Show SMILES [H][C@]1(CCN(Cc2ccccc2)C1)NS(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C29H33N5O3S/c1-37-26-14-12-23(13-15-26)28-27(31-29(32-28)24-10-6-3-7-11-24)16-18-30-38(35,36)33-25-17-19-34(21-25)20-22-8-4-2-5-9-22/h2-15,25,30,33H,16-21H2,1H3,(H,31,32)/t25-/m1/s1
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n/an/a 83n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 17: 5115-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.011
BindingDB Entry DOI: 10.7270/Q2XW4H31
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM22244
PNG
(2,4,5-tri-substituted imidazole, 14i | N-{2-[5-(4-...)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1ccncc1
Show InChI InChI=1S/C28H32N4O3S/c1-3-4-5-6-21-7-13-25(14-8-21)36(33,34)30-20-17-26-27(22-9-11-24(35-2)12-10-22)32-28(31-26)23-15-18-29-19-16-23/h7-16,18-19,30H,3-6,17,20H2,1-2H3,(H,31,32)
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n/an/a 87n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 17: 5115-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.011
BindingDB Entry DOI: 10.7270/Q2XW4H31
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM22254
PNG
(2,4,5-tri-substituted imidazole, 21b | N-{2-[5-(4-...)
Show SMILES CCCCCN1CCN(CC1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1cccs1
Show InChI InChI=1S/C25H35N5O3S2/c1-3-4-5-14-29-15-17-30(18-16-29)35(31,32)26-13-12-22-24(20-8-10-21(33-2)11-9-20)28-25(27-22)23-7-6-19-34-23/h6-11,19,26H,3-5,12-18H2,1-2H3,(H,27,28)
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n/an/a 91n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 17: 5115-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.011
BindingDB Entry DOI: 10.7270/Q2XW4H31
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM22239
PNG
(2,4,5-tri-substituted imidazole, 14d | N-{2-[5-(4-...)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C29H32N4O5S/c1-3-4-5-7-21-10-16-26(17-11-21)39(36,37)30-19-18-27-28(22-12-14-25(38-2)15-13-22)32-29(31-27)23-8-6-9-24(20-23)33(34)35/h6,8-17,20,30H,3-5,7,18-19H2,1-2H3,(H,31,32)
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n/an/a 99n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 17: 5115-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.011
BindingDB Entry DOI: 10.7270/Q2XW4H31
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM22250
PNG
(2,4,5-tri-substituted imidazole, 14o | N-{3-[5-(4-...)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1ccccc1
Show InChI InChI=1S/C30H35N3O3S/c1-3-4-6-10-23-14-20-27(21-15-23)37(34,35)31-22-9-13-28-29(24-16-18-26(36-2)19-17-24)33-30(32-28)25-11-7-5-8-12-25/h5,7-8,11-12,14-21,31H,3-4,6,9-10,13,22H2,1-2H3,(H,32,33)
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n/an/a 140n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 17: 5115-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.011
BindingDB Entry DOI: 10.7270/Q2XW4H31
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM22238
PNG
(2,4,5-tri-substituted imidazole, 14c | N-{2-[2-(4-...)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H32ClN3O3S/c1-3-4-5-6-21-7-17-26(18-8-21)37(34,35)31-20-19-27-28(22-11-15-25(36-2)16-12-22)33-29(32-27)23-9-13-24(30)14-10-23/h7-18,31H,3-6,19-20H2,1-2H3,(H,32,33)
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n/an/a 210n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 17: 5115-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.011
BindingDB Entry DOI: 10.7270/Q2XW4H31
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM22258
PNG
(2,4,5-tri-substituted imidazole, 21f | N-{2-[5-(4-...)
Show SMILES COc1ccc(cc1)-c1nc([nH]c1CCNS(=O)(=O)N1CCN(CC1)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C28H31N5O3S/c1-36-25-14-12-22(13-15-25)27-26(30-28(31-27)23-8-4-2-5-9-23)16-17-29-37(34,35)33-20-18-32(19-21-33)24-10-6-3-7-11-24/h2-15,29H,16-21H2,1H3,(H,30,31)
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n/an/a 212n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 17: 5115-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.011
BindingDB Entry DOI: 10.7270/Q2XW4H31
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM22260
PNG
(2,4,5-tri-substituted imidazole, 21h | {[(3S)-1-be...)
Show SMILES [H][C@@]1(CCN(Cc2ccccc2)C1)NS(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C29H33N5O3S/c1-37-26-14-12-23(13-15-26)28-27(31-29(32-28)24-10-6-3-7-11-24)16-18-30-38(35,36)33-25-17-19-34(21-25)20-22-8-4-2-5-9-22/h2-15,25,30,33H,16-21H2,1H3,(H,31,32)/t25-/m0/s1
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n/an/a 272n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 17: 5115-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.011
BindingDB Entry DOI: 10.7270/Q2XW4H31
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM22252
PNG
(2,4,5-tri-substituted imidazole, 15 | N-{2-[5-(4-m...)
Show SMILES COc1ccc(cc1)-c1nc([nH]c1CCNS(=O)(=O)c1ccc(C)cc1)-c1ccccc1
Show InChI InChI=1S/C25H25N3O3S/c1-18-8-14-22(15-9-18)32(29,30)26-17-16-23-24(19-10-12-21(31-2)13-11-19)28-25(27-23)20-6-4-3-5-7-20/h3-15,26H,16-17H2,1-2H3,(H,27,28)
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n/an/a 364n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 17: 5115-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.011
BindingDB Entry DOI: 10.7270/Q2XW4H31
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM22246
PNG
(2,4,5-tri-substituted imidazole, 14k | N-{2-[5-(4-...)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1cccnc1
Show InChI InChI=1S/C28H32N4O3S/c1-3-4-5-7-21-9-15-25(16-10-21)36(33,34)30-19-17-26-27(22-11-13-24(35-2)14-12-22)32-28(31-26)23-8-6-18-29-20-23/h6,8-16,18,20,30H,3-5,7,17,19H2,1-2H3,(H,31,32)
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n/an/a 560n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 17: 5115-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.011
BindingDB Entry DOI: 10.7270/Q2XW4H31
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM22248
PNG
(2,4,5-tri-substituted imidazole, 14m | N-{2-[5-(4-...)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1csc(C)n1
Show InChI InChI=1S/C27H32N4O3S2/c1-4-5-6-7-20-8-14-23(15-9-20)36(32,33)28-17-16-24-26(21-10-12-22(34-3)13-11-21)31-27(30-24)25-18-35-19(2)29-25/h8-15,18,28H,4-7,16-17H2,1-3H3,(H,30,31)
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n/an/a 720n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 17: 5115-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.011
BindingDB Entry DOI: 10.7270/Q2XW4H31
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM22245
PNG
(2,4,5-tri-substituted imidazole, 14j | N-{2-[5-(4-...)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1ccccn1
Show InChI InChI=1S/C28H32N4O3S/c1-3-4-5-8-21-10-16-24(17-11-21)36(33,34)30-20-18-25-27(22-12-14-23(35-2)15-13-22)32-28(31-25)26-9-6-7-19-29-26/h6-7,9-17,19,30H,3-5,8,18,20H2,1-2H3,(H,31,32)
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n/an/a 970n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 17: 5115-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.011
BindingDB Entry DOI: 10.7270/Q2XW4H31
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM22243
PNG
(2,4,5-tri-substituted imidazole, 14h | N-{2-[2-ter...)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)C(C)(C)C
Show InChI InChI=1S/C27H37N3O3S/c1-6-7-8-9-20-10-16-23(17-11-20)34(31,32)28-19-18-24-25(30-26(29-24)27(2,3)4)21-12-14-22(33-5)15-13-21/h10-17,28H,6-9,18-19H2,1-5H3,(H,29,30)
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n/an/a 1.92E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 17: 5115-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.011
BindingDB Entry DOI: 10.7270/Q2XW4H31
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM22247
PNG
(2,4,5-tri-substituted imidazole, 14l | N-{2-[5-(4-...)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1cnccn1
Show InChI InChI=1S/C27H31N5O3S/c1-3-4-5-6-20-7-13-23(14-8-20)36(33,34)30-16-15-24-26(21-9-11-22(35-2)12-10-21)32-27(31-24)25-19-28-17-18-29-25/h7-14,17-19,30H,3-6,15-16H2,1-2H3,(H,31,32)
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n/an/a 2.81E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 17: 5115-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.011
BindingDB Entry DOI: 10.7270/Q2XW4H31
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM22237
PNG
(2,4,5-tri-substituted imidazole, 14b | N-{2-[5-(4-...)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1ccc(C)cc1
Show InChI InChI=1S/C30H35N3O3S/c1-4-5-6-7-23-10-18-27(19-11-23)37(34,35)31-21-20-28-29(24-14-16-26(36-3)17-15-24)33-30(32-28)25-12-8-22(2)9-13-25/h8-19,31H,4-7,20-21H2,1-3H3,(H,32,33)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 17: 5115-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.011
BindingDB Entry DOI: 10.7270/Q2XW4H31
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM22236
PNG
(2,4,5-tri-substituted imidazole, 14a | N-{2-[2,5-b...)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1ccc(OC)cc1
Show InChI InChI=1S/C30H35N3O4S/c1-4-5-6-7-22-8-18-27(19-9-22)38(34,35)31-21-20-28-29(23-10-14-25(36-2)15-11-23)33-30(32-28)24-12-16-26(37-3)17-13-24/h8-19,31H,4-7,20-21H2,1-3H3,(H,32,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 17: 5115-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.011
BindingDB Entry DOI: 10.7270/Q2XW4H31
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM22242
PNG
(2,4,5-tri-substituted imidazole, 14g | N-{2-[2-cyc...)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)C1CC1
Show InChI InChI=1S/C26H33N3O3S/c1-3-4-5-6-19-7-15-23(16-8-19)33(30,31)27-18-17-24-25(29-26(28-24)21-9-10-21)20-11-13-22(32-2)14-12-20/h7-8,11-16,21,27H,3-6,9-10,17-18H2,1-2H3,(H,28,29)
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Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 17: 5115-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.011
BindingDB Entry DOI: 10.7270/Q2XW4H31
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM22241
PNG
(2,4,5-tri-substituted imidazole, 14f | N-{2-[5-(4-...)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(C)nc1-c1ccc(OC)cc1
Show InChI InChI=1S/C24H31N3O3S/c1-4-5-6-7-19-8-14-22(15-9-19)31(28,29)25-17-16-23-24(27-18(2)26-23)20-10-12-21(30-3)13-11-20/h8-15,25H,4-7,16-17H2,1-3H3,(H,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 17: 5115-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.011
BindingDB Entry DOI: 10.7270/Q2XW4H31
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM22240
PNG
(4,5-di-substituted imidazole, 14e | N-{2-[5-(4-met...)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]cnc1-c1ccc(OC)cc1
Show InChI InChI=1S/C23H29N3O3S/c1-3-4-5-6-18-7-13-21(14-8-18)30(27,28)26-16-15-22-23(25-17-24-22)19-9-11-20(29-2)12-10-19/h7-14,17,26H,3-6,15-16H2,1-2H3,(H,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroper...


Bioorg Med Chem Lett 17: 5115-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.011
BindingDB Entry DOI: 10.7270/Q2XW4H31
More data for this
Ligand-Target Pair