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Compile Data Set for Download or QSAR

Found 97 hits with Last Name = 'kuhn' and Initial = 'n'   
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 ALOX12


(Homo sapiens (Human))
BDBM50447175
PNG
(CHEMBL3113165 | US10752581, Compound 35)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccccc3s2)c1O
Show InChI InChI=1S/C21H19N3O4S2/c1-28-18-7-4-5-14(20(18)25)13-22-15-9-11-16(12-10-15)30(26,27)24-21-23-17-6-2-3-8-19(17)29-21/h2-12,22,25H,13H2,1H3,(H,23,24)
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350n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate assessed as 12-HPETE formation by Henri-...


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447176
PNG
(CHEMBL3113166 | US10752581, Compound 36)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccccc3o2)c1O
Show InChI InChI=1S/C21H19N3O5S/c1-28-19-8-4-5-14(20(19)25)13-22-15-9-11-16(12-10-15)30(26,27)24-21-23-17-6-2-3-7-18(17)29-21/h2-12,22,25H,13H2,1H3,(H,23,24)
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530n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate assessed as 12-HPETE formation by Henri-...


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447176
PNG
(CHEMBL3113166 | US10752581, Compound 36)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccccc3o2)c1O
Show InChI InChI=1S/C21H19N3O5S/c1-28-19-8-4-5-14(20(19)25)13-22-15-9-11-16(12-10-15)30(26,27)24-21-23-17-6-2-3-7-18(17)29-21/h2-12,22,25H,13H2,1H3,(H,23,24)
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620n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate assessed as 12-HPETE formation by Henri-Mi...


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447175
PNG
(CHEMBL3113165 | US10752581, Compound 35)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccccc3s2)c1O
Show InChI InChI=1S/C21H19N3O4S2/c1-28-18-7-4-5-14(20(18)25)13-22-15-9-11-16(12-10-15)30(26,27)24-21-23-17-6-2-3-8-19(17)29-21/h2-12,22,25H,13H2,1H3,(H,23,24)
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720n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate assessed as 12-HPETE formation by Henri-Mi...


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447181
PNG
(CHEMBL3113197 | US10752581, Compound 67)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2cccc(c2)C(C)C)c1O
Show InChI InChI=1S/C23H26N2O4S/c1-16(2)17-6-4-8-20(14-17)25-30(27,28)21-12-10-19(11-13-21)24-15-18-7-5-9-22(29-3)23(18)26/h4-14,16,24-26H,15H2,1-3H3
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n/an/a 160n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447202
PNG
(CHEMBL3113193 | US10752581, Compound 63)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc(cs2)-c2ccccc2)c1O
Show InChI InChI=1S/C23H21N3O4S2/c1-30-21-9-5-8-17(22(21)27)14-24-18-10-12-19(13-11-18)32(28,29)26-23-25-20(15-31-23)16-6-3-2-4-7-16/h2-13,15,24,27H,14H2,1H3,(H,25,26)
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n/an/a 180n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447180
PNG
(CHEMBL3113198 | US10752581, Compound 68)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccc(F)cc3s2)c1O
Show InChI InChI=1S/C21H18FN3O4S2/c1-29-18-4-2-3-13(20(18)26)12-23-15-6-8-16(9-7-15)31(27,28)25-21-24-17-10-5-14(22)11-19(17)30-21/h2-11,23,26H,12H2,1H3,(H,24,25)
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n/an/a 220n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447184
PNG
(CHEMBL3113169 | US10752581, Compound 39)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3c(C)cccc3s2)c1O
Show InChI InChI=1S/C22H21N3O4S2/c1-14-5-3-8-19-20(14)24-22(30-19)25-31(27,28)17-11-9-16(10-12-17)23-13-15-6-4-7-18(29-2)21(15)26/h3-12,23,26H,13H2,1-2H3,(H,24,25)
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n/an/a 240n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447182
PNG
(CHEMBL3113192 | US10752581, Compound 62)
Show SMILES COc1ccc2nc(NS(=O)(=O)c3ccc(NCc4cccc(OC)c4O)cc3)sc2c1
Show InChI InChI=1S/C22H21N3O5S2/c1-29-16-8-11-18-20(12-16)31-22(24-18)25-32(27,28)17-9-6-15(7-10-17)23-13-14-4-3-5-19(30-2)21(14)26/h3-12,23,26H,13H2,1-2H3,(H,24,25)
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n/an/a 260n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447213
PNG
(CHEMBL3113180)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2ccc3ccccc3c2)c1O
Show InChI InChI=1S/C24H22N2O4S/c1-30-23-8-4-7-19(24(23)27)16-25-20-11-13-22(14-12-20)31(28,29)26-21-10-9-17-5-2-3-6-18(17)15-21/h2-15,25-27H,16H2,1H3
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n/an/a 330n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447175
PNG
(CHEMBL3113165 | US10752581, Compound 35)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccccc3s2)c1O
Show InChI InChI=1S/C21H19N3O4S2/c1-28-18-7-4-5-14(20(18)25)13-22-15-9-11-16(12-10-15)30(26,27)24-21-23-17-6-2-3-8-19(17)29-21/h2-12,22,25H,13H2,1H3,(H,23,24)
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n/an/a 340n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447221
PNG
(CHEMBL3113168 | US10752581, Compound 38)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2cccs2)c1O
Show InChI InChI=1S/C18H18N2O4S2/c1-24-16-5-2-4-13(18(16)21)12-19-14-7-9-15(10-8-14)26(22,23)20-17-6-3-11-25-17/h2-11,19-21H,12H2,1H3
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n/an/a 350n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447203
PNG
(CHEMBL3113191 | US10752581, Compound 61)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2cccc(c2)C(C)(C)C)c1O
Show InChI InChI=1S/C24H28N2O4S/c1-24(2,3)18-8-6-9-20(15-18)26-31(28,29)21-13-11-19(12-14-21)25-16-17-7-5-10-22(30-4)23(17)27/h5-15,25-27H,16H2,1-4H3
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n/an/a 390n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447216
PNG
(CHEMBL3113176 | US10752581, Compound 46)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2cnc3ccccc3c2)c1O
Show InChI InChI=1S/C23H21N3O4S/c1-30-22-8-4-6-17(23(22)27)14-24-18-9-11-20(12-10-18)31(28,29)26-19-13-16-5-2-3-7-21(16)25-15-19/h2-13,15,24,26-27H,14H2,1H3
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n/an/a 480n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447183
PNG
(CHEMBL3113178 | US10752581, Compound 48)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2ccccc2)c1O
Show InChI InChI=1S/C20H20N2O4S/c1-26-19-9-5-6-15(20(19)23)14-21-16-10-12-18(13-11-16)27(24,25)22-17-7-3-2-4-8-17/h2-13,21-23H,14H2,1H3
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n/an/a 500n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447214
PNG
(CHEMBL3113179 | US10752581, Compound 49)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2cccc3ccccc23)c1O
Show InChI InChI=1S/C24H22N2O4S/c1-30-23-11-5-8-18(24(23)27)16-25-19-12-14-20(15-13-19)31(28,29)26-22-10-4-7-17-6-2-3-9-21(17)22/h2-15,25-27H,16H2,1H3
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n/an/a 510n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447177
PNG
(CHEMBL3113167 | US10752581, Compound 37)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccccc3[nH]2)c1O
Show InChI InChI=1S/C21H20N4O4S/c1-29-19-8-4-5-14(20(19)26)13-22-15-9-11-16(12-10-15)30(27,28)25-21-23-17-6-2-3-7-18(17)24-21/h2-12,22,26H,13H2,1H3,(H2,23,24,25)
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n/an/a 570n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50447184
PNG
(CHEMBL3113169 | US10752581, Compound 39)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3c(C)cccc3s2)c1O
Show InChI InChI=1S/C22H21N3O4S2/c1-14-5-3-8-19-20(14)24-22(30-19)25-31(27,28)17-11-9-16(10-12-17)23-13-15-6-4-7-18(29-2)21(15)26/h3-12,23,26H,13H2,1-2H3,(H,24,25)
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n/an/a 690n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human reticulocyte 15-LOX1 using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447215
PNG
(CHEMBL3113177 | US10752581, Compound 47)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2cccc3ccncc23)c1O
Show InChI InChI=1S/C23H21N3O4S/c1-30-22-7-3-5-17(23(22)27)14-25-18-8-10-19(11-9-18)31(28,29)26-21-6-2-4-16-12-13-24-15-20(16)21/h2-13,15,25-27H,14H2,1H3
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n/an/a 700n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447200
PNG
(CHEMBL3113195 | US10752581, Compound 65)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2cccc(c2)C2CCN(CC2)C(=O)OC(C)(C)C)c1O
Show InChI InChI=1S/C30H37N3O6S/c1-30(2,3)39-29(35)33-17-15-21(16-18-33)22-7-5-9-25(19-22)32-40(36,37)26-13-11-24(12-14-26)31-20-23-8-6-10-27(38-4)28(23)34/h5-14,19,21,31-32,34H,15-18,20H2,1-4H3
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n/an/a 760n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447176
PNG
(CHEMBL3113166 | US10752581, Compound 36)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccccc3o2)c1O
Show InChI InChI=1S/C21H19N3O5S/c1-28-19-8-4-5-14(20(19)25)13-22-15-9-11-16(12-10-15)30(26,27)24-21-23-17-6-2-3-7-18(17)29-21/h2-12,22,25H,13H2,1H3,(H,23,24)
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n/an/a 790n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Mus musculus)
BDBM50447175
PNG
(CHEMBL3113165 | US10752581, Compound 35)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccccc3s2)c1O
Show InChI InChI=1S/C21H19N3O4S2/c1-28-18-7-4-5-14(20(18)25)13-22-15-9-11-16(12-10-15)30(26,27)24-21-23-17-6-2-3-8-19(17)29-21/h2-12,22,25H,13H2,1H3,(H,23,24)
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n/an/a 1.00E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 12-LOX in mouse BTC3 cells assessed as inhibition of arachidonic acid/calcium ionophore-induced 12-HETE production after 4 hrs by ELISA


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447199
PNG
(CHEMBL3113196 | US10752581, Compound 66)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2cccc(c2)C2CCNCC2)c1O
Show InChI InChI=1S/C25H29N3O4S/c1-32-24-7-3-5-20(25(24)29)17-27-21-8-10-23(11-9-21)33(30,31)28-22-6-2-4-19(16-22)18-12-14-26-15-13-18/h2-11,16,18,26-29H,12-15,17H2,1H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447179
PNG
(CHEMBL3113201 | US10752581, Compound 71)
Show SMILES Oc1c(Cl)cccc1CNc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C20H16ClN3O3S2/c21-16-5-3-4-13(19(16)25)12-22-14-8-10-15(11-9-14)29(26,27)24-20-23-17-6-1-2-7-18(17)28-20/h1-11,22,25H,12H2,(H,23,24)
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n/an/a 1.30E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50447179
PNG
(CHEMBL3113201 | US10752581, Compound 71)
Show SMILES Oc1c(Cl)cccc1CNc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C20H16ClN3O3S2/c21-16-5-3-4-13(19(16)25)12-22-14-8-10-15(11-9-14)29(26,27)24-20-23-17-6-1-2-7-18(17)28-20/h1-11,22,25H,12H2,(H,23,24)
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n/an/a 1.30E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human reticulocyte 15-LOX1 using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447212
PNG
(CHEMBL3113181 | US10752581, Compound 51)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2ccc(cc2)-c2ccccc2)c1O
Show InChI InChI=1S/C26H24N2O4S/c1-32-25-9-5-8-21(26(25)29)18-27-22-14-16-24(17-15-22)33(30,31)28-23-12-10-20(11-13-23)19-6-3-2-4-7-19/h2-17,27-29H,18H2,1H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447190
PNG
(CHEMBL3113369 | US10752581, Compound 78)
Show SMILES Oc1cc(Br)ccc1CNc1ccc(cc1)S(=O)(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C23H19BrN2O3S/c24-18-9-8-17(23(27)14-18)15-25-19-10-12-20(13-11-19)30(28,29)26-22-7-3-5-16-4-1-2-6-21(16)22/h1-14,25-27H,15H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447218
PNG
(CHEMBL3113173 | US10752581, Compound 43)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc(C)c(C)s2)c1O
Show InChI InChI=1S/C19H21N3O4S2/c1-12-13(2)27-19(21-12)22-28(24,25)16-9-7-15(8-10-16)20-11-14-5-4-6-17(26-3)18(14)23/h4-10,20,23H,11H2,1-3H3,(H,21,22)
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n/an/a 1.40E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447197
PNG
(CHEMBL3113200 | US10752581, Compound 70)
Show SMILES Oc1c(Cl)cccc1CNc1ccc(cc1)S(=O)(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C23H19ClN2O3S/c24-21-9-3-7-17(23(21)27)15-25-18-11-13-19(14-12-18)30(28,29)26-22-10-4-6-16-5-1-2-8-20(16)22/h1-14,25-27H,15H2
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n/an/a 1.60E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447189
PNG
(CHEMBL3113370 | US10752581, Compound 79)
Show SMILES Oc1cc(Br)ccc1CNc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C20H16BrN3O3S2/c21-14-6-5-13(18(25)11-14)12-22-15-7-9-16(10-8-15)29(26,27)24-20-23-17-3-1-2-4-19(17)28-20/h1-11,22,25H,12H2,(H,23,24)
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n/an/a 1.70E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447187
PNG
(CHEMBL3113372 | US10752581, Compound 81)
Show SMILES Oc1cc(Br)ccc1CNc1ccc(cc1)S(=O)(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C23H19BrN2O3S/c24-19-7-5-18(23(27)14-19)15-25-20-9-11-22(12-10-20)30(28,29)26-21-8-6-16-3-1-2-4-17(16)13-21/h1-14,25-27H,15H2
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n/an/a 2.20E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447234
PNG
(CHEMBL3113152 | US10752581, Compound 22)
Show SMILES Oc1cc(Br)ccc1CNc1ccc(cc1)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C16H14BrN3O3S2/c17-12-2-1-11(15(21)9-12)10-19-13-3-5-14(6-4-13)25(22,23)20-16-18-7-8-24-16/h1-9,19,21H,10H2,(H,18,20)
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n/an/a 2.20E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447196
PNG
(CHEMBL3113202 | US10752581, Compound 72)
Show SMILES Oc1c(Cl)cccc1CNc1ccc(cc1)S(=O)(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C23H19ClN2O3S/c24-22-7-3-6-18(23(22)27)15-25-19-10-12-21(13-11-19)30(28,29)26-20-9-8-16-4-1-2-5-17(16)14-20/h1-14,25-27H,15H2
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n/an/a 2.30E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447188
PNG
(CHEMBL3113371 | US10752581, Compound 80)
Show SMILES Oc1cc(Br)ccc1CNc1ccc(cc1)S(=O)(=O)Nc1cnc2ccccc2c1
Show InChI InChI=1S/C22H18BrN3O3S/c23-17-6-5-16(22(27)12-17)13-24-18-7-9-20(10-8-18)30(28,29)26-19-11-15-3-1-2-4-21(15)25-14-19/h1-12,14,24,26-27H,13H2
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n/an/a 2.30E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447186
PNG
(CHEMBL3113373)
Show SMILES Oc1cc(Br)ccc1CNc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H21BrN2O3S/c26-21-9-6-20(25(29)16-21)17-27-22-12-14-24(15-13-22)32(30,31)28-23-10-7-19(8-11-23)18-4-2-1-3-5-18/h1-16,27-29H,17H2
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n/an/a 2.50E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447220
PNG
(CHEMBL3113170 | US10752581, Compound 50)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc(C)cs2)c1O
Show InChI InChI=1S/C18H19N3O4S2/c1-12-11-26-18(20-12)21-27(23,24)15-8-6-14(7-9-15)19-10-13-4-3-5-16(25-2)17(13)22/h3-9,11,19,22H,10H2,1-2H3,(H,20,21)
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n/an/a 2.70E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447191
PNG
(CHEMBL3113368 | US10752581, Compound 77)
Show SMILES Oc1cc(Br)ccc1CNc1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C19H17BrN2O3S/c20-15-7-6-14(19(23)12-15)13-21-16-8-10-18(11-9-16)26(24,25)22-17-4-2-1-3-5-17/h1-12,21-23H,13H2
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n/an/a 2.90E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447219
PNG
(CHEMBL3113171 | US10752581, Compound 41)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2ncc(C)s2)c1O
Show InChI InChI=1S/C18H19N3O4S2/c1-12-10-20-18(26-12)21-27(23,24)15-8-6-14(7-9-15)19-11-13-4-3-5-16(25-2)17(13)22/h3-10,19,22H,11H2,1-2H3,(H,20,21)
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n/an/a 3.00E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447211
PNG
(CHEMBL3113183 | US10752581, Compound 53)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2cccc(c2)N2CCNCC2)c1O
Show InChI InChI=1S/C24H28N4O4S/c1-32-23-7-2-4-18(24(23)29)17-26-19-8-10-22(11-9-19)33(30,31)27-20-5-3-6-21(16-20)28-14-12-25-13-15-28/h2-11,16,25-27,29H,12-15,17H2,1H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447209
PNG
(CHEMBL3113185 | US10752581, Compound 55)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2ccc(cc2)C2CCNCC2)c1O
Show InChI InChI=1S/C25H29N3O4S/c1-32-24-4-2-3-20(25(24)29)17-27-21-9-11-23(12-10-21)33(30,31)28-22-7-5-18(6-8-22)19-13-15-26-16-14-19/h2-12,19,26-29H,13-17H2,1H3
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n/an/a 3.70E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447201
PNG
(CHEMBL3113194 | US10752581, Compound 64)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2cccc(c2)N2CCOCC2)c1O
Show InChI InChI=1S/C24H27N3O5S/c1-31-23-7-2-4-18(24(23)28)17-25-19-8-10-22(11-9-19)33(29,30)26-20-5-3-6-21(16-20)27-12-14-32-15-13-27/h2-11,16,25-26,28H,12-15,17H2,1H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447208
PNG
(CHEMBL3113186)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2cnccc2N2CCNCC2)c1O
Show InChI InChI=1S/C23H27N5O4S/c1-32-22-4-2-3-17(23(22)29)15-26-18-5-7-19(8-6-18)33(30,31)27-20-16-25-10-9-21(20)28-13-11-24-12-14-28/h2-10,16,24,26-27,29H,11-15H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447195
PNG
(CHEMBL3113203 | US10752581, Compound 73)
Show SMILES Oc1c(Cl)cccc1CNc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H21ClN2O3S/c26-24-8-4-7-20(25(24)29)17-27-21-13-15-23(16-14-21)32(30,31)28-22-11-9-19(10-12-22)18-5-2-1-3-6-18/h1-16,27-29H,17H2
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n/an/a 4.20E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447198
PNG
(CHEMBL3113199 | US10752581, Compound 69)
Show SMILES Oc1c(Cl)cccc1CNc1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C19H17ClN2O3S/c20-18-8-4-5-14(19(18)23)13-21-15-9-11-17(12-10-15)26(24,25)22-16-6-2-1-3-7-16/h1-12,21-23H,13H2
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n/an/a 4.50E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447194
PNG
(CHEMBL3113204 | US10752581, Compound 74)
Show SMILES Oc1c(Cl)cccc1CNc1ccc(cc1)S(=O)(=O)Nc1cccc2ccncc12
Show InChI InChI=1S/C22H18ClN3O3S/c23-20-5-1-4-16(22(20)27)13-25-17-7-9-18(10-8-17)30(28,29)26-21-6-2-3-15-11-12-24-14-19(15)21/h1-12,14,25-27H,13H2
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n/an/a 4.50E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50447180
PNG
(CHEMBL3113198 | US10752581, Compound 68)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccc(F)cc3s2)c1O
Show InChI InChI=1S/C21H18FN3O4S2/c1-29-18-4-2-3-13(20(18)26)12-23-15-6-8-16(9-7-15)31(27,28)25-21-24-17-10-5-14(22)11-19(17)30-21/h2-11,23,26H,12H2,1H3,(H,24,25)
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n/an/a 4.50E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human reticulocyte 15-LOX1 using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447207
PNG
(CHEMBL3113187 | US10752581, Compound 57)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2ccc(C)nc2)c1O
Show InChI InChI=1S/C20H21N3O4S/c1-14-6-7-17(13-21-14)23-28(25,26)18-10-8-16(9-11-18)22-12-15-4-3-5-19(27-2)20(15)24/h3-11,13,22-24H,12H2,1-2H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447206
PNG
(CHEMBL3113188 | US10752581, Compound 58)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2ccccn2)c1O
Show InChI InChI=1S/C19H19N3O4S/c1-26-17-6-4-5-14(19(17)23)13-21-15-8-10-16(11-9-15)27(24,25)22-18-7-2-3-12-20-18/h2-12,21,23H,13H2,1H3,(H,20,22)
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n/an/a 5.00E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50447182
PNG
(CHEMBL3113192 | US10752581, Compound 62)
Show SMILES COc1ccc2nc(NS(=O)(=O)c3ccc(NCc4cccc(OC)c4O)cc3)sc2c1
Show InChI InChI=1S/C22H21N3O5S2/c1-29-16-8-11-18-20(12-16)31-22(24-18)25-32(27,28)17-9-6-15(7-10-17)23-13-14-4-3-5-19(30-2)21(14)26/h3-12,23,26H,13H2,1-2H3,(H,24,25)
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n/an/a 5.10E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human reticulocyte 15-LOX1 using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50447178
PNG
(CHEMBL1596118 | US10752581, Compound 1)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nccs2)c1O
Show InChI InChI=1S/C17H17N3O4S2/c1-24-15-4-2-3-12(16(15)21)11-19-13-5-7-14(8-6-13)26(22,23)20-17-18-9-10-25-17/h2-10,19,21H,11H2,1H3,(H,18,20)
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n/an/a 5.10E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
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