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Compile Data Set for Download or QSAR

Found 42 hits with Last Name = 'vieider' and Initial = 'l'   
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
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50521309
PNG
(CHEMBL4467796)
Show SMILES Cc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1nc2ccccc2s1
Show InChI InChI=1S/C22H17Cl2N3O2S/c1-13-10-14(25-22(28)26-15-6-8-16(23)17(24)11-15)7-9-19(13)29-12-21-27-18-4-2-3-5-20(18)30-21/h2-11H,12H2,1H3,(H2,25,26,28)
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n/an/a 0.600n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH preincubated for 10 mins followed by PHOME substrate addition and measured after 60 mins by fluorescence-based as...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50521307
PNG
(CHEMBL4559364)
Show SMILES Cc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1nc2ccccc2s1
Show InChI InChI=1S/C22H17Cl2N3O2S/c1-13-8-16(25-22(28)26-17-10-14(23)9-15(24)11-17)6-7-19(13)29-12-21-27-18-4-2-3-5-20(18)30-21/h2-11H,12H2,1H3,(H2,25,26,28)
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University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH preincubated for 10 mins followed by PHOME substrate addition and measured after 60 mins by fluorescence-based as...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50521297
PNG
(CHEMBL4584048)
Show SMILES Cc1cc(NC(=O)Nc2cccc(Cl)c2)ccc1OCc1nc2ccccc2s1
Show InChI InChI=1S/C22H18ClN3O2S/c1-14-11-17(25-22(27)24-16-6-4-5-15(23)12-16)9-10-19(14)28-13-21-26-18-7-2-3-8-20(18)29-21/h2-12H,13H2,1H3,(H2,24,25,27)
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University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH preincubated for 10 mins followed by PHOME substrate addition and measured after 60 mins by fluorescence-based as...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50521298
PNG
(CHEMBL4474511)
Show SMILES Cc1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCc1nc2ccccc2s1
Show InChI InChI=1S/C22H18ClN3O2S/c1-14-12-17(25-22(27)24-16-8-6-15(23)7-9-16)10-11-19(14)28-13-21-26-18-4-2-3-5-20(18)29-21/h2-12H,13H2,1H3,(H2,24,25,27)
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University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH preincubated for 10 mins followed by PHOME substrate addition and measured after 60 mins by fluorescence-based as...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50521295
PNG
(CHEMBL4513805)
Show SMILES Cc1cc(OCc2nc3ccccc3s2)ccc1NC(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C22H18ClN3O2S/c1-14-12-17(28-13-21-25-19-4-2-3-5-20(19)29-21)10-11-18(14)26-22(27)24-16-8-6-15(23)7-9-16/h2-12H,13H2,1H3,(H2,24,26,27)
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University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH preincubated for 10 mins followed by PHOME substrate addition and measured after 60 mins by fluorescence-based as...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50521291
PNG
(CHEMBL4467433)
Show SMILES Cc1cc(NC(=O)Nc2ccccc2)ccc1OCc1nc2ccccc2s1
Show InChI InChI=1S/C22H19N3O2S/c1-15-13-17(24-22(26)23-16-7-3-2-4-8-16)11-12-19(15)27-14-21-25-18-9-5-6-10-20(18)28-21/h2-13H,14H2,1H3,(H2,23,24,26)
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University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH preincubated for 10 mins followed by PHOME substrate addition and measured after 60 mins by fluorescence-based as...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50521303
PNG
(CHEMBL4578414)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(\C=C\c3nc4ccccc4s3)cc2)cc1Cl
Show InChI InChI=1S/C22H15Cl2N3OS/c23-17-11-10-16(13-18(17)24)26-22(28)25-15-8-5-14(6-9-15)7-12-21-27-19-3-1-2-4-20(19)29-21/h1-13H,(H2,25,26,28)/b12-7+
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University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH preincubated for 10 mins followed by PHOME substrate addition and measured after 60 mins by fluorescence-based as...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50521306
PNG
(CHEMBL4585429)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(OCc3nc4ccccc4s3)cc2)cc1Cl
Show InChI InChI=1S/C21H15Cl2N3O2S/c22-16-10-7-14(11-17(16)23)25-21(27)24-13-5-8-15(9-6-13)28-12-20-26-18-3-1-2-4-19(18)29-20/h1-11H,12H2,(H2,24,25,27)
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University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH preincubated for 10 mins followed by PHOME substrate addition and measured after 60 mins by fluorescence-based as...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50521302
PNG
(CHEMBL4439758)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(CCc3nc4ccccc4s3)cc2)cc1Cl
Show InChI InChI=1S/C22H17Cl2N3OS/c23-17-11-10-16(13-18(17)24)26-22(28)25-15-8-5-14(6-9-15)7-12-21-27-19-3-1-2-4-20(19)29-21/h1-6,8-11,13H,7,12H2,(H2,25,26,28)
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University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH preincubated for 10 mins followed by PHOME substrate addition and measured after 60 mins by fluorescence-based as...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50521292
PNG
(CHEMBL4447668)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(OCc3nc4ccccc4s3)cc2)cc1
Show InChI InChI=1S/C21H16ClN3O2S/c22-14-5-7-15(8-6-14)23-21(26)24-16-9-11-17(12-10-16)27-13-20-25-18-3-1-2-4-19(18)28-20/h1-12H,13H2,(H2,23,24,26)
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University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH preincubated for 10 mins followed by PHOME substrate addition and measured after 60 mins by fluorescence-based as...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50521300
PNG
(CHEMBL4456287)
Show SMILES Clc1cc(Cl)cc(NC(=O)Nc2ccc(OCc3nc4ccccc4s3)cc2)c1
Show InChI InChI=1S/C21H15Cl2N3O2S/c22-13-9-14(23)11-16(10-13)25-21(27)24-15-5-7-17(8-6-15)28-12-20-26-18-3-1-2-4-19(18)29-20/h1-11H,12H2,(H2,24,25,27)
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University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH preincubated for 10 mins followed by PHOME substrate addition and measured after 60 mins by fluorescence-based as...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50521304
PNG
(CHEMBL4464098)
Show SMILES Cc1cc(OCc2nc3ccccc3s2)ccc1NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C22H18ClN3O2S/c1-14-11-17(28-13-21-25-19-7-2-3-8-20(19)29-21)9-10-18(14)26-22(27)24-16-6-4-5-15(23)12-16/h2-12H,13H2,1H3,(H2,24,26,27)
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University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH preincubated for 10 mins followed by PHOME substrate addition and measured after 60 mins by fluorescence-based as...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50521296
PNG
(CHEMBL4464435)
Show SMILES Cc1cc(OCc2nc3ccccc3s2)ccc1NC(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C22H17Cl2N3O2S/c1-13-8-17(29-12-21-26-19-4-2-3-5-20(19)30-21)6-7-18(13)27-22(28)25-16-10-14(23)9-15(24)11-16/h2-11H,12H2,1H3,(H2,25,27,28)
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University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH preincubated for 10 mins followed by PHOME substrate addition and measured after 60 mins by fluorescence-based as...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50521293
PNG
(CHEMBL4291038)
Show SMILES Cc1cc(OCc2nc3ccccc3s2)ccc1NC(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H17Cl2N3O2S/c1-13-10-15(29-12-21-26-19-4-2-3-5-20(19)30-21)7-9-18(13)27-22(28)25-14-6-8-16(23)17(24)11-14/h2-11H,12H2,1H3,(H2,25,27,28)
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University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH preincubated for 10 mins followed by PHOME substrate addition and measured after 60 mins by fluorescence-based as...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50521301
PNG
(CHEMBL4572575)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(SCc3nc4ccccc4s3)cc2)cc1Cl
Show InChI InChI=1S/C21H15Cl2N3OS2/c22-16-10-7-14(11-17(16)23)25-21(27)24-13-5-8-15(9-6-13)28-12-20-26-18-3-1-2-4-19(18)29-20/h1-11H,12H2,(H2,24,25,27)
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University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH preincubated for 10 mins followed by PHOME substrate addition and measured after 60 mins by fluorescence-based as...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50521299
PNG
(CHEMBL4470478)
Show SMILES Clc1cccc(NC(=O)Nc2ccc(OCc3nc4ccccc4s3)cc2)c1
Show InChI InChI=1S/C21H16ClN3O2S/c22-14-4-3-5-16(12-14)24-21(26)23-15-8-10-17(11-9-15)27-13-20-25-18-6-1-2-7-19(18)28-20/h1-12H,13H2,(H2,23,24,26)
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University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH preincubated for 10 mins followed by PHOME substrate addition and measured after 60 mins by fluorescence-based as...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50521305
PNG
(CHEMBL4468253)
Show SMILES Cc1cc(NC(=O)Nc2ccccc2Cl)ccc1OCc1nc2ccccc2s1
Show InChI InChI=1S/C22H18ClN3O2S/c1-14-12-15(24-22(27)26-17-7-3-2-6-16(17)23)10-11-19(14)28-13-21-25-18-8-4-5-9-20(18)29-21/h2-12H,13H2,1H3,(H2,24,26,27)
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University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH preincubated for 10 mins followed by PHOME substrate addition and measured after 60 mins by fluorescence-based as...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50521310
PNG
(CHEMBL4529502)
Show SMILES Cc1cc(OCc2nc3ccccc3s2)ccc1NC(=O)Nc1ccccc1
Show InChI InChI=1S/C22H19N3O2S/c1-15-13-17(27-14-21-24-19-9-5-6-10-20(19)28-21)11-12-18(15)25-22(26)23-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H2,23,25,26)
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University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH preincubated for 10 mins followed by PHOME substrate addition and measured after 60 mins by fluorescence-based as...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50521296
PNG
(CHEMBL4464435)
Show SMILES Cc1cc(OCc2nc3ccccc3s2)ccc1NC(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C22H17Cl2N3O2S/c1-13-8-17(29-12-21-26-19-4-2-3-5-20(19)30-21)6-7-18(13)27-22(28)25-16-10-14(23)9-15(24)11-16/h2-11H,12H2,1H3,(H2,25,27,28)
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University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils preincubated for 10 mins followed by Ca2+ ionophore A23187 addition and measured after 10 mins by RP-HPLC ana...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50521300
PNG
(CHEMBL4456287)
Show SMILES Clc1cc(Cl)cc(NC(=O)Nc2ccc(OCc3nc4ccccc4s3)cc2)c1
Show InChI InChI=1S/C21H15Cl2N3O2S/c22-13-9-14(23)11-16(10-13)25-21(27)24-15-5-7-17(8-6-15)28-12-20-26-18-3-1-2-4-19(18)29-20/h1-11H,12H2,(H2,24,25,27)
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University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils preincubated for 10 mins followed by Ca2+ ionophore A23187 addition and measured after 10 mins by RP-HPLC ana...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50521308
PNG
(CHEMBL4586137)
Show SMILES O=C(Nc1ccccc1)Nc1ccc(OCc2nc3ccccc3s2)cc1
Show InChI InChI=1S/C21H17N3O2S/c25-21(22-15-6-2-1-3-7-15)23-16-10-12-17(13-11-16)26-14-20-24-18-8-4-5-9-19(18)27-20/h1-13H,14H2,(H2,22,23,25)
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n/an/a 112n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH preincubated for 10 mins followed by PHOME substrate addition and measured after 60 mins by fluorescence-based as...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50521304
PNG
(CHEMBL4464098)
Show SMILES Cc1cc(OCc2nc3ccccc3s2)ccc1NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C22H18ClN3O2S/c1-14-11-17(28-13-21-25-19-7-2-3-8-20(19)29-21)9-10-18(14)26-22(27)24-16-6-4-5-15(23)12-16/h2-12H,13H2,1H3,(H2,24,26,27)
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n/an/a 160n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils preincubated for 10 mins followed by Ca2+ ionophore A23187 addition and measured after 10 mins by RP-HPLC ana...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50521299
PNG
(CHEMBL4470478)
Show SMILES Clc1cccc(NC(=O)Nc2ccc(OCc3nc4ccccc4s3)cc2)c1
Show InChI InChI=1S/C21H16ClN3O2S/c22-14-4-3-5-16(12-14)24-21(26)23-15-8-10-17(11-9-15)27-13-20-25-18-6-1-2-7-19(18)28-20/h1-12H,13H2,(H2,23,24,26)
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n/an/a 170n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils preincubated for 10 mins followed by Ca2+ ionophore A23187 addition and measured after 10 mins by RP-HPLC ana...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50521293
PNG
(CHEMBL4291038)
Show SMILES Cc1cc(OCc2nc3ccccc3s2)ccc1NC(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H17Cl2N3O2S/c1-13-10-15(29-12-21-26-19-4-2-3-5-20(19)30-21)7-9-18(13)27-22(28)25-14-6-8-16(23)17(24)11-14/h2-11H,12H2,1H3,(H2,25,27,28)
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n/an/a 230n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils preincubated for 10 mins followed by Ca2+ ionophore A23187 addition and measured after 10 mins by RP-HPLC ana...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50521290
PNG
(CHEMBL4521577)
Show SMILES Clc1ccccc1NC(=O)Nc1ccc(OCc2nc3ccccc3s2)cc1
Show InChI InChI=1S/C21H16ClN3O2S/c22-16-5-1-2-6-17(16)25-21(26)23-14-9-11-15(12-10-14)27-13-20-24-18-7-3-4-8-19(18)28-20/h1-12H,13H2,(H2,23,25,26)
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n/an/a 279n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH preincubated for 10 mins followed by PHOME substrate addition and measured after 60 mins by fluorescence-based as...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50521290
PNG
(CHEMBL4521577)
Show SMILES Clc1ccccc1NC(=O)Nc1ccc(OCc2nc3ccccc3s2)cc1
Show InChI InChI=1S/C21H16ClN3O2S/c22-16-5-1-2-6-17(16)25-21(26)23-14-9-11-15(12-10-14)27-13-20-24-18-7-3-4-8-19(18)28-20/h1-12H,13H2,(H2,23,25,26)
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n/an/a 360n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils preincubated for 10 mins followed by Ca2+ ionophore A23187 addition and measured after 10 mins by RP-HPLC ana...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50521308
PNG
(CHEMBL4586137)
Show SMILES O=C(Nc1ccccc1)Nc1ccc(OCc2nc3ccccc3s2)cc1
Show InChI InChI=1S/C21H17N3O2S/c25-21(22-15-6-2-1-3-7-15)23-16-10-12-17(13-11-16)26-14-20-24-18-8-4-5-9-19(18)27-20/h1-13H,14H2,(H2,22,23,25)
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University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils preincubated for 10 mins followed by Ca2+ ionophore A23187 addition and measured after 10 mins by RP-HPLC ana...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50521295
PNG
(CHEMBL4513805)
Show SMILES Cc1cc(OCc2nc3ccccc3s2)ccc1NC(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C22H18ClN3O2S/c1-14-12-17(28-13-21-25-19-4-2-3-5-20(19)29-21)10-11-18(14)26-22(27)24-16-8-6-15(23)7-9-16/h2-12H,13H2,1H3,(H2,24,26,27)
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n/an/a 570n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils preincubated for 10 mins followed by Ca2+ ionophore A23187 addition and measured after 10 mins by RP-HPLC ana...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50521306
PNG
(CHEMBL4585429)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(OCc3nc4ccccc4s3)cc2)cc1Cl
Show InChI InChI=1S/C21H15Cl2N3O2S/c22-16-10-7-14(11-17(16)23)25-21(27)24-13-5-8-15(9-6-13)28-12-20-26-18-3-1-2-4-19(18)29-20/h1-11H,12H2,(H2,24,25,27)
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n/an/a 570n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils preincubated for 10 mins followed by Ca2+ ionophore A23187 addition and measured after 10 mins by RP-HPLC ana...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50521305
PNG
(CHEMBL4468253)
Show SMILES Cc1cc(NC(=O)Nc2ccccc2Cl)ccc1OCc1nc2ccccc2s1
Show InChI InChI=1S/C22H18ClN3O2S/c1-14-12-15(24-22(27)26-17-7-3-2-6-16(17)23)10-11-19(14)28-13-21-25-18-8-4-5-9-20(18)29-21/h2-12H,13H2,1H3,(H2,24,26,27)
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n/an/a 680n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils preincubated for 10 mins followed by Ca2+ ionophore A23187 addition and measured after 10 mins by RP-HPLC ana...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50521307
PNG
(CHEMBL4559364)
Show SMILES Cc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1nc2ccccc2s1
Show InChI InChI=1S/C22H17Cl2N3O2S/c1-13-8-16(25-22(28)26-17-10-14(23)9-15(24)11-17)6-7-19(13)29-12-21-27-18-4-2-3-5-20(18)30-21/h2-11H,12H2,1H3,(H2,25,26,28)
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n/an/a 720n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils preincubated for 10 mins followed by Ca2+ ionophore A23187 addition and measured after 10 mins by RP-HPLC ana...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50521310
PNG
(CHEMBL4529502)
Show SMILES Cc1cc(OCc2nc3ccccc3s2)ccc1NC(=O)Nc1ccccc1
Show InChI InChI=1S/C22H19N3O2S/c1-15-13-17(27-14-21-24-19-9-5-6-10-20(19)28-21)11-12-18(15)25-22(26)23-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H2,23,25,26)
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n/an/a 730n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils preincubated for 10 mins followed by Ca2+ ionophore A23187 addition and measured after 10 mins by RP-HPLC ana...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50521294
PNG
(CHEMBL4446557)
Show SMILES Cc1cc(OCc2nc3ccccc3s2)ccc1NC(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C22H18ClN3O2S/c1-14-12-15(28-13-21-24-19-8-4-5-9-20(19)29-21)10-11-17(14)25-22(27)26-18-7-3-2-6-16(18)23/h2-12H,13H2,1H3,(H2,25,26,27)
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n/an/a 830n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils preincubated for 10 mins followed by Ca2+ ionophore A23187 addition and measured after 10 mins by RP-HPLC ana...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50521292
PNG
(CHEMBL4447668)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(OCc3nc4ccccc4s3)cc2)cc1
Show InChI InChI=1S/C21H16ClN3O2S/c22-14-5-7-15(8-6-14)23-21(26)24-16-9-11-17(12-10-16)27-13-20-25-18-3-1-2-4-19(18)28-20/h1-12H,13H2,(H2,23,24,26)
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n/an/a 1.01E+3n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils preincubated for 10 mins followed by Ca2+ ionophore A23187 addition and measured after 10 mins by RP-HPLC ana...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50521301
PNG
(CHEMBL4572575)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(SCc3nc4ccccc4s3)cc2)cc1Cl
Show InChI InChI=1S/C21H15Cl2N3OS2/c22-16-10-7-14(11-17(16)23)25-21(27)24-13-5-8-15(9-6-13)28-12-20-26-18-3-1-2-4-19(18)29-20/h1-11H,12H2,(H2,24,25,27)
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n/an/a 1.13E+3n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils preincubated for 10 mins followed by Ca2+ ionophore A23187 addition and measured after 10 mins by RP-HPLC ana...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50521294
PNG
(CHEMBL4446557)
Show SMILES Cc1cc(OCc2nc3ccccc3s2)ccc1NC(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C22H18ClN3O2S/c1-14-12-15(28-13-21-24-19-8-4-5-9-20(19)29-21)10-11-17(14)25-22(27)26-18-7-3-2-6-16(18)23/h2-12H,13H2,1H3,(H2,25,26,27)
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH preincubated for 10 mins followed by PHOME substrate addition and measured after 60 mins by fluorescence-based as...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50521291
PNG
(CHEMBL4467433)
Show SMILES Cc1cc(NC(=O)Nc2ccccc2)ccc1OCc1nc2ccccc2s1
Show InChI InChI=1S/C22H19N3O2S/c1-15-13-17(24-22(26)23-16-7-3-2-4-8-16)11-12-19(15)27-14-21-25-18-9-5-6-10-20(18)28-21/h2-13H,14H2,1H3,(H2,23,24,26)
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n/an/a 2.07E+3n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils preincubated for 10 mins followed by Ca2+ ionophore A23187 addition and measured after 10 mins by RP-HPLC ana...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50521297
PNG
(CHEMBL4584048)
Show SMILES Cc1cc(NC(=O)Nc2cccc(Cl)c2)ccc1OCc1nc2ccccc2s1
Show InChI InChI=1S/C22H18ClN3O2S/c1-14-11-17(25-22(27)24-16-6-4-5-15(23)12-16)9-10-19(14)28-13-21-26-18-7-2-3-8-20(18)29-21/h2-12H,13H2,1H3,(H2,24,25,27)
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n/an/a 2.09E+3n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils preincubated for 10 mins followed by Ca2+ ionophore A23187 addition and measured after 10 mins by RP-HPLC ana...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50521309
PNG
(CHEMBL4467796)
Show SMILES Cc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1nc2ccccc2s1
Show InChI InChI=1S/C22H17Cl2N3O2S/c1-13-10-14(25-22(28)26-15-6-8-16(23)17(24)11-15)7-9-19(13)29-12-21-27-18-4-2-3-5-20(18)30-21/h2-11H,12H2,1H3,(H2,25,26,28)
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n/an/a 2.17E+3n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils preincubated for 10 mins followed by Ca2+ ionophore A23187 addition and measured after 10 mins by RP-HPLC ana...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50521298
PNG
(CHEMBL4474511)
Show SMILES Cc1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCc1nc2ccccc2s1
Show InChI InChI=1S/C22H18ClN3O2S/c1-14-12-17(25-22(27)24-16-8-6-15(23)7-9-16)10-11-19(14)28-13-21-26-18-4-2-3-5-20(18)29-21/h2-12H,13H2,1H3,(H2,24,25,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils preincubated for 10 mins followed by Ca2+ ionophore A23187 addition and measured after 10 mins by RP-HPLC ana...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50521302
PNG
(CHEMBL4439758)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(CCc3nc4ccccc4s3)cc2)cc1Cl
Show InChI InChI=1S/C22H17Cl2N3OS/c23-17-11-10-16(13-18(17)24)26-22(28)25-15-8-5-14(6-9-15)7-12-21-27-19-3-1-2-4-20(19)29-21/h1-6,8-11,13H,7,12H2,(H2,25,26,28)
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils preincubated for 10 mins followed by Ca2+ ionophore A23187 addition and measured after 10 mins by RP-HPLC ana...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50521303
PNG
(CHEMBL4578414)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(\C=C\c3nc4ccccc4s3)cc2)cc1Cl
Show InChI InChI=1S/C22H15Cl2N3OS/c23-17-11-10-16(13-18(17)24)26-22(28)25-15-8-5-14(6-9-15)7-12-21-27-19-3-1-2-4-20(19)29-21/h1-13H,(H2,25,26,28)/b12-7+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.08E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils preincubated for 10 mins followed by Ca2+ ionophore A23187 addition and measured after 10 mins by RP-HPLC ana...


ACS Med Chem Lett 10: 62-66 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00415
BindingDB Entry DOI: 10.7270/Q2J106JK
More data for this
Ligand-Target Pair