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PubMed code 21696952

Compile data set for download or QSAR
Found 41 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 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347329
PNG
(CHEMBL1796851)
Show SMILES CCN([C@@H]1CCN(C1)C(C)c1ccc(F)cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1
Show InChI InChI=1S/C27H32FN7O2S2/c1-3-35(22-11-15-34(18-22)19(2)20-6-8-21(28)9-7-20)39(36,37)31-12-10-23-26(24-17-29-13-14-30-24)32-33-27(23)25-5-4-16-38-25/h4-9,13-14,16-17,19,22,31H,3,10-12,15,18H2,1-2H3,(H,32,33)/t19?,22-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347323
PNG
(CHEMBL1796845)
Show SMILES COc1cccc(c1)-c1n[nH]c(c1CCNS(=O)(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)-c1cccs1
Show InChI InChI=1S/C28H33N5O3S2/c1-32(23-14-16-33(20-23)19-21-8-4-3-5-9-21)38(34,35)29-15-13-25-27(22-10-6-11-24(18-22)36-2)30-31-28(25)26-12-7-17-37-26/h3-12,17-18,23,29H,13-16,19-20H2,1-2H3,(H,30,31)/t23-/m1/s1
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347327
PNG
(CHEMBL1796849)
Show SMILES CCN([C@@H]1CCN(C1)[C@@H](C)c1ccccc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1
Show InChI InChI=1S/C27H33N7O2S2/c1-3-34(22-12-16-33(19-22)20(2)21-8-5-4-6-9-21)38(35,36)30-13-11-23-26(24-18-28-14-15-29-24)31-32-27(23)25-10-7-17-37-25/h4-10,14-15,17-18,20,22,30H,3,11-13,16,19H2,1-2H3,(H,31,32)/t20-,22+/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347324
PNG
(CHEMBL1796846)
Show SMILES CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cccs1
Show InChI InChI=1S/C25H29N5O2S3/c1-29(20-12-14-30(18-20)17-19-7-3-2-4-8-19)35(31,32)26-13-11-21-24(22-9-5-15-33-22)27-28-25(21)23-10-6-16-34-23/h2-10,15-16,20,26H,11-14,17-18H2,1H3,(H,27,28)/t20-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347327
PNG
(CHEMBL1796849)
Show SMILES CCN([C@@H]1CCN(C1)[C@@H](C)c1ccccc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1
Show InChI InChI=1S/C27H33N7O2S2/c1-3-34(22-12-16-33(19-22)20(2)21-8-5-4-6-9-21)38(35,36)30-13-11-23-26(24-18-28-14-15-29-24)31-32-27(23)25-10-7-17-37-25/h4-10,14-15,17-18,20,22,30H,3,11-13,16,19H2,1-2H3,(H,31,32)/t20-,22+/m0/s1
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using arachidonic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347328
PNG
(CHEMBL1796850)
Show SMILES CCN([C@@H]1CCN(C1)C(C)(C)c1ccccc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1
Show InChI InChI=1S/C28H35N7O2S2/c1-4-35(22-13-17-34(20-22)28(2,3)21-9-6-5-7-10-21)39(36,37)31-14-12-23-26(24-19-29-15-16-30-24)32-33-27(23)25-11-8-18-38-25/h5-11,15-16,18-19,22,31H,4,12-14,17,20H2,1-3H3,(H,32,33)/t22-/m1/s1
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347325
PNG
(CHEMBL1796847)
Show SMILES CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1
Show InChI InChI=1S/C25H29N7O2S2/c1-31(20-10-14-32(18-20)17-19-6-3-2-4-7-19)36(33,34)28-11-9-21-24(22-16-26-12-13-27-22)29-30-25(21)23-8-5-15-35-23/h2-8,12-13,15-16,20,28H,9-11,14,17-18H2,1H3,(H,29,30)/t20-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347329
PNG
(CHEMBL1796851)
Show SMILES CCN([C@@H]1CCN(C1)C(C)c1ccc(F)cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1
Show InChI InChI=1S/C27H32FN7O2S2/c1-3-35(22-11-15-34(18-22)19(2)20-6-8-21(28)9-7-20)39(36,37)31-12-10-23-26(24-17-29-13-14-30-24)32-33-27(23)25-5-4-16-38-25/h4-9,13-14,16-17,19,22,31H,3,10-12,15,18H2,1-2H3,(H,32,33)/t19?,22-/m1/s1
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n/an/a 3.10n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using arachidonic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347322
PNG
(CHEMBL1796844)
Show SMILES CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1ccccc1
Show InChI InChI=1S/C27H31N5O2S2/c1-31(23-15-17-32(20-23)19-21-9-4-2-5-10-21)36(33,34)28-16-14-24-26(22-11-6-3-7-12-22)29-30-27(24)25-13-8-18-35-25/h2-13,18,23,28H,14-17,19-20H2,1H3,(H,29,30)/t23-/m1/s1
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n/an/a 3.60n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347318
PNG
(CHEMBL1796840)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cccs1
Show InChI InChI=1S/C24H27N3O2S3/c1-2-3-4-7-18-10-12-19(13-11-18)32(28,29)25-15-14-20-23(21-8-5-16-30-21)26-27-24(20)22-9-6-17-31-22/h5-6,8-13,16-17,25H,2-4,7,14-15H2,1H3,(H,26,27)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347328
PNG
(CHEMBL1796850)
Show SMILES CCN([C@@H]1CCN(C1)C(C)(C)c1ccccc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1
Show InChI InChI=1S/C28H35N7O2S2/c1-4-35(22-13-17-34(20-22)28(2,3)21-9-6-5-7-10-21)39(36,37)31-14-12-23-26(24-19-29-15-16-30-24)32-33-27(23)25-11-8-18-38-25/h5-11,15-16,18-19,22,31H,4,12-14,17,20H2,1-3H3,(H,32,33)/t22-/m1/s1
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n/an/a 4.10n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using arachidonic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347330
PNG
(CHEMBL1795361)
Show SMILES CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cc(C)on1
Show InChI InChI=1S/C25H30N6O3S2/c1-18-15-22(29-34-18)24-21(25(28-27-24)23-9-6-14-35-23)10-12-26-36(32,33)30(2)20-11-13-31(17-20)16-19-7-4-3-5-8-19/h3-9,14-15,20,26H,10-13,16-17H2,1-2H3,(H,27,28)/t20-/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347323
PNG
(CHEMBL1796845)
Show SMILES COc1cccc(c1)-c1n[nH]c(c1CCNS(=O)(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)-c1cccs1
Show InChI InChI=1S/C28H33N5O3S2/c1-32(23-14-16-33(20-23)19-21-8-4-3-5-9-21)38(34,35)29-15-13-25-27(22-10-6-11-24(18-22)36-2)30-31-28(25)26-12-7-17-37-26/h3-12,17-18,23,29H,13-16,19-20H2,1-2H3,(H,30,31)/t23-/m1/s1
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using arachidonic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347326
PNG
(CHEMBL1796848)
Show SMILES CCN([C@@H]1CCN(C1)[C@H](C)c1ccccc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1
Show InChI InChI=1S/C27H33N7O2S2/c1-3-34(22-12-16-33(19-22)20(2)21-8-5-4-6-9-21)38(35,36)30-13-11-23-26(24-18-28-14-15-29-24)31-32-27(23)25-10-7-17-37-25/h4-10,14-15,17-18,20,22,30H,3,11-13,16,19H2,1-2H3,(H,31,32)/t20-,22-/m1/s1
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347324
PNG
(CHEMBL1796846)
Show SMILES CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cccs1
Show InChI InChI=1S/C25H29N5O2S3/c1-29(20-12-14-30(18-20)17-19-7-3-2-4-8-19)35(31,32)26-13-11-21-24(22-9-5-15-33-22)27-28-25(21)23-10-6-16-34-23/h2-10,15-16,20,26H,11-14,17-18H2,1H3,(H,27,28)/t20-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using arachidonic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347325
PNG
(CHEMBL1796847)
Show SMILES CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1
Show InChI InChI=1S/C25H29N7O2S2/c1-31(20-10-14-32(18-20)17-19-6-3-2-4-7-19)36(33,34)28-11-9-21-24(22-16-26-12-13-27-22)29-30-25(21)23-8-5-15-35-23/h2-8,12-13,15-16,20,28H,9-11,14,17-18H2,1H3,(H,29,30)/t20-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using arachidonic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347322
PNG
(CHEMBL1796844)
Show SMILES CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1ccccc1
Show InChI InChI=1S/C27H31N5O2S2/c1-31(23-15-17-32(20-23)19-21-9-4-2-5-10-21)36(33,34)28-16-14-24-26(22-11-6-3-7-12-22)29-30-27(24)25-13-8-18-35-25/h2-13,18,23,28H,14-17,19-20H2,1H3,(H,29,30)/t23-/m1/s1
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n/an/a 7.5n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using arachidonic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347326
PNG
(CHEMBL1796848)
Show SMILES CCN([C@@H]1CCN(C1)[C@H](C)c1ccccc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1
Show InChI InChI=1S/C27H33N7O2S2/c1-3-34(22-12-16-33(19-22)20(2)21-8-5-4-6-9-21)38(35,36)30-13-11-23-26(24-18-28-14-15-29-24)31-32-27(23)25-10-7-17-37-25/h4-10,14-15,17-18,20,22,30H,3,11-13,16,19H2,1-2H3,(H,31,32)/t20-,22-/m1/s1
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n/an/a 8.20n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using arachidonic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347319
PNG
(CHEMBL1796841)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cccc(OC)c1
Show InChI InChI=1S/C27H31N3O3S2/c1-3-4-5-8-20-12-14-23(15-13-20)35(31,32)28-17-16-24-26(21-9-6-10-22(19-21)33-2)29-30-27(24)25-11-7-18-34-25/h6-7,9-15,18-19,28H,3-5,8,16-17H2,1-2H3,(H,29,30)
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347320
PNG
(CHEMBL1796842)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cc(C)on1
Show InChI InChI=1S/C24H28N4O3S2/c1-3-4-5-7-18-9-11-19(12-10-18)33(29,30)25-14-13-20-23(21-16-17(2)31-28-21)26-27-24(20)22-8-6-15-32-22/h6,8-12,15-16,25H,3-5,7,13-14H2,1-2H3,(H,26,27)
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347317
PNG
(CHEMBL1796839)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1ccccc1
Show InChI InChI=1S/C26H29N3O2S2/c1-2-3-5-9-20-13-15-22(16-14-20)33(30,31)27-18-17-23-25(21-10-6-4-7-11-21)28-29-26(23)24-12-8-19-32-24/h4,6-8,10-16,19,27H,2-3,5,9,17-18H2,1H3,(H,28,29)
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347321
PNG
(CHEMBL1796843)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1
Show InChI InChI=1S/C24H27N5O2S2/c1-2-3-4-6-18-8-10-19(11-9-18)33(30,31)27-13-12-20-23(21-17-25-14-15-26-21)28-29-24(20)22-7-5-16-32-22/h5,7-11,14-17,27H,2-4,6,12-13H2,1H3,(H,28,29)
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347330
PNG
(CHEMBL1795361)
Show SMILES CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cc(C)on1
Show InChI InChI=1S/C25H30N6O3S2/c1-18-15-22(29-34-18)24-21(25(28-27-24)23-9-6-14-35-23)10-12-26-36(32,33)30(2)20-11-13-31(17-20)16-19-7-4-3-5-8-19/h3-9,14-15,20,26H,10-13,16-17H2,1-2H3,(H,27,28)/t20-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using arachidonic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347318
PNG
(CHEMBL1796840)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cccs1
Show InChI InChI=1S/C24H27N3O2S3/c1-2-3-4-7-18-10-12-19(13-11-18)32(28,29)25-15-14-20-23(21-8-5-16-30-21)26-27-24(20)22-9-6-17-31-22/h5-6,8-13,16-17,25H,2-4,7,14-15H2,1H3,(H,26,27)
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using arachidonic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347317
PNG
(CHEMBL1796839)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1ccccc1
Show InChI InChI=1S/C26H29N3O2S2/c1-2-3-5-9-20-13-15-22(16-14-20)33(30,31)27-18-17-23-25(21-10-6-4-7-11-21)28-29-26(23)24-12-8-19-32-24/h4,6-8,10-16,19,27H,2-3,5,9,17-18H2,1H3,(H,28,29)
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n/an/a 28n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using arachidonic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347315
PNG
(CHEMBL1796837)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(n[nH]c1-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)30-31-28(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 35n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347320
PNG
(CHEMBL1796842)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cc(C)on1
Show InChI InChI=1S/C24H28N4O3S2/c1-3-4-5-7-18-9-11-19(12-10-18)33(29,30)25-14-13-20-23(21-16-17(2)31-28-21)26-27-24(20)22-8-6-15-32-22/h6,8-12,15-16,25H,3-5,7,13-14H2,1-2H3,(H,26,27)
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n/an/a 36n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using arachidonic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50347329
PNG
(CHEMBL1796851)
Show SMILES CCN([C@@H]1CCN(C1)C(C)c1ccc(F)cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1
Show InChI InChI=1S/C27H32FN7O2S2/c1-3-35(22-11-15-34(18-22)19(2)20-6-8-21(28)9-7-20)39(36,37)31-12-10-23-26(24-17-29-13-14-30-24)32-33-27(23)25-5-4-16-38-25/h4-9,13-14,16-17,19,22,31H,3,10-12,15,18H2,1-2H3,(H,32,33)/t19?,22-/m1/s1
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n/an/a 51n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human 15-LO expressed in CHO cells by cell-based assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347319
PNG
(CHEMBL1796841)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cccc(OC)c1
Show InChI InChI=1S/C27H31N3O3S2/c1-3-4-5-8-20-12-14-23(15-13-20)35(31,32)28-17-16-24-26(21-9-6-10-22(19-21)33-2)29-30-27(24)25-11-7-18-34-25/h6-7,9-15,18-19,28H,3-5,8,16-17H2,1-2H3,(H,29,30)
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n/an/a 53n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using arachidonic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347321
PNG
(CHEMBL1796843)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1
Show InChI InChI=1S/C24H27N5O2S2/c1-2-3-4-6-18-8-10-19(11-9-18)33(30,31)27-13-12-20-23(21-17-25-14-15-26-21)28-29-24(20)22-7-5-16-32-22/h5,7-11,14-17,27H,2-4,6,12-13H2,1H3,(H,28,29)
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n/an/a 65n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using arachidonic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347314
PNG
(CHEMBL1796836)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(n[nH]c1-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(23-11-7-5-8-12-23)31-32-29(27)24-13-9-14-25(21-24)35-2/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 68n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347312
PNG
(CHEMBL1796834)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(n[nH]c1-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(23-10-7-5-8-11-23)31-32-29(27)24-14-16-25(35-2)17-15-24/h5,7-8,10-19,30H,3-4,6,9,20-21H2,1-2H3,(H,31,32)
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n/an/a 150n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347316
PNG
(CHEMBL1796838)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(Cc2ccccc2)[nH]nc1-c1ccccc1
Show InChI InChI=1S/C29H33N3O2S/c1-2-3-6-11-23-16-18-26(19-17-23)35(33,34)30-21-20-27-28(22-24-12-7-4-8-13-24)31-32-29(27)25-14-9-5-10-15-25/h4-5,7-10,12-19,30H,2-3,6,11,20-22H2,1H3,(H,31,32)
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n/an/a 158n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347311
PNG
(CHEMBL1796833)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(CC(C)C)[nH]nc1-c1ccc(OC)cc1
Show InChI InChI=1S/C27H37N3O3S/c1-5-6-7-8-21-9-15-24(16-10-21)34(31,32)28-18-17-25-26(19-20(2)3)29-30-27(25)22-11-13-23(33-4)14-12-22/h9-16,20,28H,5-8,17-19H2,1-4H3,(H,29,30)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347315
PNG
(CHEMBL1796837)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(n[nH]c1-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)30-31-28(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 313n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using arachidonic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347314
PNG
(CHEMBL1796836)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(n[nH]c1-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(23-11-7-5-8-12-23)31-32-29(27)24-13-9-14-25(21-24)35-2/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 524n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using arachidonic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347316
PNG
(CHEMBL1796838)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(Cc2ccccc2)[nH]nc1-c1ccccc1
Show InChI InChI=1S/C29H33N3O2S/c1-2-3-6-11-23-16-18-26(19-17-23)35(33,34)30-21-20-27-28(22-24-12-7-4-8-13-24)31-32-29(27)25-14-9-5-10-15-25/h4-5,7-10,12-19,30H,2-3,6,11,20-22H2,1H3,(H,31,32)
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n/an/a 918n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using arachidonic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347313
PNG
(CHEMBL1796835)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(n[nH]c1-c1ccccc1)-c1ccccc1OC
Show InChI InChI=1S/C29H33N3O3S/c1-3-4-6-11-22-16-18-24(19-17-22)36(33,34)30-21-20-26-28(23-12-7-5-8-13-23)31-32-29(26)25-14-9-10-15-27(25)35-2/h5,7-10,12-19,30H,3-4,6,11,20-21H2,1-2H3,(H,31,32)
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n/an/a 1.22E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347312
PNG
(CHEMBL1796834)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(n[nH]c1-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(23-10-7-5-8-11-23)31-32-29(27)24-14-16-25(35-2)17-15-24/h5,7-8,10-19,30H,3-4,6,9,20-21H2,1-2H3,(H,31,32)
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n/an/a 1.56E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using arachidonic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50347310
PNG
(CHEMBL1796832)
Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(C)[nH]nc1-c1ccc(OC)cc1
Show InChI InChI=1S/C24H31N3O3S/c1-4-5-6-7-19-8-14-22(15-9-19)31(28,29)25-17-16-23-18(2)26-27-24(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 3.98E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50347327
PNG
(CHEMBL1796849)
Show SMILES CCN([C@@H]1CCN(C1)[C@@H](C)c1ccccc1)S(=O)(=O)NCCc1c(n[nH]c1-c1cccs1)-c1cnccn1
Show InChI InChI=1S/C27H33N7O2S2/c1-3-34(22-12-16-33(19-22)20(2)21-8-5-4-6-9-21)38(35,36)30-13-11-23-26(24-18-28-14-15-29-24)31-32-27(23)25-10-7-17-37-25/h4-10,14-15,17-18,20,22,30H,3,11-13,16,19H2,1-2H3,(H,31,32)/t20-,22+/m0/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of 5-LO


Bioorg Med Chem Lett 21: 4141-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.107
BindingDB Entry DOI: 10.7270/Q2028RW3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%