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Compile Data Set for Download or QSAR

Found 88 hits with Last Name = 'la buscató' and Initial = 'e'   
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))		BDBM50399873
PNG
(CHEMBL2180621)
Show SMILES CCOC(=O)c1cccn1Cc1ccc(CNC(=O)NC2CCCCC2)cc1
Show InChI InChI=1S/C22H29N3O3/c1-2-28-21(26)20-9-6-14-25(20)16-18-12-10-17(11-13-18)15-23-22(27)24-19-7-4-3-5-8-19/h6,9-14,19H,2-5,7-8,15-16H2,1H3,(H2,23,24,27)
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n/an/a 23n/an/an/an/an/an/a



ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of recombinant soluble epoxide hydrolase using PHOME as substrate after 10 mins by fluorescence assay

J Med Chem 55: 10771-5 (2012)


Article DOI: 10.1021/jm301194c
BindingDB Entry DOI: 10.7270/Q28P61PN
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50399874
PNG
(CHEMBL2180620)
Show SMILES CCOC(=O)c1cccn1Cc1cccc(CNC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C22H29N3O3/c1-2-28-21(26)20-12-7-13-25(20)16-18-9-6-8-17(14-18)15-23-22(27)24-19-10-4-3-5-11-19/h6-9,12-14,19H,2-5,10-11,15-16H2,1H3,(H2,23,24,27)
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n/an/a 27n/an/an/an/an/an/a



ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of recombinant soluble epoxide hydrolase using PHOME as substrate after 10 mins by fluorescence assay

J Med Chem 55: 10771-5 (2012)


Article DOI: 10.1021/jm301194c
BindingDB Entry DOI: 10.7270/Q28P61PN
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50365616
PNG
(CHEMBL1958141)
Show SMILES Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C27H29N3O/c1-20-12-17-25-29-26(27(30(25)18-20)28-23-10-6-3-7-11-23)22-13-15-24(16-14-22)31-19-21-8-4-2-5-9-21/h2,4-5,8-9,12-18,23,28H,3,6-7,10-11,19H2,1H3
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ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in S100 cell free fraction of human polymorphonuclear leukocytes assessed as reduction in 5-LO product formation preincu...

Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50399864
PNG
(CHEMBL2180619)
Show SMILES CCOC(=O)c1cccn1Cc1ccccc1CNC(=O)NC1CCCCC1
Show InChI InChI=1S/C22H29N3O3/c1-2-28-21(26)20-13-8-14-25(20)16-18-10-7-6-9-17(18)15-23-22(27)24-19-11-4-3-5-12-19/h6-10,13-14,19H,2-5,11-12,15-16H2,1H3,(H2,23,24,27)
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ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of recombinant soluble epoxide hydrolase using PHOME as substrate after 10 mins by fluorescence assay

J Med Chem 55: 10771-5 (2012)


Article DOI: 10.1021/jm301194c
BindingDB Entry DOI: 10.7270/Q28P61PN
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50365618
PNG
(CHEMBL1958143)
Show SMILES Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C27H29N3O/c1-20-15-16-25-29-26(27(30(25)18-20)28-23-12-6-3-7-13-23)22-11-8-14-24(17-22)31-19-21-9-4-2-5-10-21/h2,4-5,8-11,14-18,23,28H,3,6-7,12-13,19H2,1H3
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ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in S100 cell free fraction of human polymorphonuclear leukocytes assessed as reduction in 5-LO product formation preincu...

Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50399872
PNG
(CHEMBL2180622)
Show SMILES CCOC(=O)c1cccn1Cc1ccccc1CNC(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |r,TLB:25:26:29.24.23:30,THB:25:24:30:27.26.31|
Show InChI InChI=1S/C26H33N3O3/c1-2-32-24(30)23-8-5-9-29(23)17-22-7-4-3-6-21(22)16-27-25(31)28-26-13-18-10-19(14-26)12-20(11-18)15-26/h3-9,18-20H,2,10-17H2,1H3,(H2,27,28,31)/t18-,19+,20-,26?
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ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of recombinant soluble epoxide hydrolase using PHOME as substrate after 10 mins by fluorescence assay

J Med Chem 55: 10771-5 (2012)


Article DOI: 10.1021/jm301194c
BindingDB Entry DOI: 10.7270/Q28P61PN
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50399871
PNG
(CHEMBL2180623)
Show SMILES CCOC(=O)c1cccn1Cc1cccc(CNC(=O)NC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)c1 |r,TLB:28:27:30:22.23.24,28:23:29.27.26:30|
Show InChI InChI=1S/C26H33N3O3/c1-2-32-24(30)23-7-4-8-29(23)17-19-6-3-5-18(9-19)16-27-25(31)28-26-13-20-10-21(14-26)12-22(11-20)15-26/h3-9,20-22H,2,10-17H2,1H3,(H2,27,28,31)/t20-,21+,22-,26?
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n/an/a 46n/an/an/an/an/an/a



ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of recombinant soluble epoxide hydrolase using PHOME as substrate after 10 mins by fluorescence assay

J Med Chem 55: 10771-5 (2012)


Article DOI: 10.1021/jm301194c
BindingDB Entry DOI: 10.7270/Q28P61PN
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM22334
PNG
(BW A4C | BW4C | BWA4C | BWA4C, 10 | CHEMBL314360 |...)
Show SMILES CC(=O)N(O)C\C=C\c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C17H17NO3/c1-14(19)18(20)12-6-8-15-7-5-11-17(13-15)21-16-9-3-2-4-10-16/h2-11,13,20H,12H2,1H3/b8-6+
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ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in S100 cell free fraction of human polymorphonuclear leukocytes assessed as reduction in 5-LO product formation preincu...

Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50365646
PNG
(CHEMBL1958140)
Show SMILES Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C26H27N3O/c1-19-15-16-24-28-25(26(29(24)18-19)27-21-10-4-2-5-11-21)20-9-8-14-23(17-20)30-22-12-6-3-7-13-22/h3,6-9,12-18,21,27H,2,4-5,10-11H2,1H3
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ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in S100 cell free fraction of human polymorphonuclear leukocytes assessed as reduction in 5-LO product formation preincu...

Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50365637
PNG
(CHEMBL1957976)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(cc1)-c1nc2ccc(Cl)cn2c1NC1CCCCC1
Show InChI InChI=1S/C28H36ClN5O2/c1-28(2,3)36-27(35)33-17-15-32(16-18-33)23-12-9-20(10-13-23)25-26(30-22-7-5-4-6-8-22)34-19-21(29)11-14-24(34)31-25/h9-14,19,22,30H,4-8,15-18H2,1-3H3
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ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in S100 cell free fraction of human polymorphonuclear leukocytes assessed as reduction in 5-LO product formation preincu...

Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50365636
PNG
(CHEMBL1957975)
Show SMILES Clc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C24H29ClN4/c25-19-11-14-22-27-23(24(29(22)17-19)26-20-7-3-1-4-8-20)18-9-12-21(13-10-18)28-15-5-2-6-16-28/h9-14,17,20,26H,1-8,15-16H2
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ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in S100 cell free fraction of human polymorphonuclear leukocytes assessed as reduction in 5-LO product formation preincu...

Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50399879
PNG
(CHEMBL2180633)
Show SMILES OC(=O)c1cccn1Cc1ccc(CNC(=O)NC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1 |r,THB:23:24:19:27.22.21,23:22:26.24.25:19|
Show InChI InChI=1S/C24H29N3O3/c28-22(29)21-2-1-7-27(21)15-17-5-3-16(4-6-17)14-25-23(30)26-24-11-18-8-19(12-24)10-20(9-18)13-24/h1-7,18-20H,8-15H2,(H,28,29)(H2,25,26,30)/t18-,19+,20-,24?
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ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of recombinant soluble epoxide hydrolase using PHOME as substrate after 10 mins by fluorescence assay

J Med Chem 55: 10771-5 (2012)


Article DOI: 10.1021/jm301194c
BindingDB Entry DOI: 10.7270/Q28P61PN
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50365631
PNG
(CHEMBL1957970)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ccc(Cl)cn2c1NC1CCCCC1
Show InChI InChI=1S/C21H25ClN4/c1-25(2)18-11-8-15(9-12-18)20-21(23-17-6-4-3-5-7-17)26-14-16(22)10-13-19(26)24-20/h8-14,17,23H,3-7H2,1-2H3
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ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in S100 cell free fraction of human polymorphonuclear leukocytes assessed as reduction in 5-LO product formation preincu...

Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM22334
PNG
(BW A4C | BW4C | BWA4C | BWA4C, 10 | CHEMBL314360 |...)
Show SMILES CC(=O)N(O)C\C=C\c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C17H17NO3/c1-14(19)18(20)12-6-8-15-7-5-11-17(13-15)21-16-9-3-2-4-10-16/h2-11,13,20H,12H2,1H3/b8-6+
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ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as reduction in A23187 and AA-stimulated 5-LO product formation preincuba...

Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50365617
PNG
(CHEMBL1958142)
Show SMILES Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H27N3O/c1-19-12-17-24-28-25(26(29(24)18-19)27-21-8-4-2-5-9-21)20-13-15-23(16-14-20)30-22-10-6-3-7-11-22/h3,6-7,10-18,21,27H,2,4-5,8-9H2,1H3
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ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in S100 cell free fraction of human polymorphonuclear leukocytes assessed as reduction in 5-LO product formation preincu...

Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50399870
PNG
(CHEMBL2180624)
Show SMILES CCOC(=O)c1cccn1Cc1ccc(CNC(=O)NC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1 |r,TLB:27:26:29:21.22.23,27:22:28.26.25:29|
Show InChI InChI=1S/C26H33N3O3/c1-2-32-24(30)23-4-3-9-29(23)17-19-7-5-18(6-8-19)16-27-25(31)28-26-13-20-10-21(14-26)12-22(11-20)15-26/h3-9,20-22H,2,10-17H2,1H3,(H2,27,28,31)/t20-,21+,22-,26?
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ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of recombinant soluble epoxide hydrolase using PHOME as substrate after 10 mins by fluorescence assay

J Med Chem 55: 10771-5 (2012)


Article DOI: 10.1021/jm301194c
BindingDB Entry DOI: 10.7270/Q28P61PN
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50365631
PNG
(CHEMBL1957970)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ccc(Cl)cn2c1NC1CCCCC1
Show InChI InChI=1S/C21H25ClN4/c1-25(2)18-11-8-15(9-12-18)20-21(23-17-6-4-3-5-7-17)26-14-16(22)10-13-19(26)24-20/h8-14,17,23H,3-7H2,1-2H3
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ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as reduction in A23187 and AA-stimulated 5-LO product formation preincuba...

Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50365632
PNG
(CHEMBL1957971)
Show SMILES Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C24H30N4O/c1-18-7-12-22-26-23(24(28(22)17-18)25-20-5-3-2-4-6-20)19-8-10-21(11-9-19)27-13-15-29-16-14-27/h7-12,17,20,25H,2-6,13-16H2,1H3
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ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in S100 cell free fraction of human polymorphonuclear leukocytes assessed as reduction in 5-LO product formation preincu...

Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM25737
PNG
(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27|
Show InChI InChI=1S/C23H40N2O3/c26-21(27)10-8-6-4-2-1-3-5-7-9-11-24-22(28)25-23-15-18-12-19(16-23)14-20(13-18)17-23/h18-20H,1-17H2,(H,26,27)(H2,24,25,28)
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n/an/a 107n/an/an/an/an/an/a



ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of recombinant soluble epoxide hydrolase using PHOME as substrate after 10 mins by fluorescence assay

J Med Chem 55: 10771-5 (2012)


Article DOI: 10.1021/jm301194c
BindingDB Entry DOI: 10.7270/Q28P61PN
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50365636
PNG
(CHEMBL1957975)
Show SMILES Clc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C24H29ClN4/c25-19-11-14-22-27-23(24(29(22)17-19)26-20-7-3-1-4-8-20)18-9-12-21(13-10-18)28-15-5-2-6-16-28/h9-14,17,20,26H,1-8,15-16H2
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ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as reduction in A23187 and AA-stimulated 5-LO product formation preincuba...

Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50365634
PNG
(CHEMBL1957973)
Show SMILES Brc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C23H27BrN4O/c24-18-8-11-21-26-22(23(28(21)16-18)25-19-4-2-1-3-5-19)17-6-9-20(10-7-17)27-12-14-29-15-13-27/h6-11,16,19,25H,1-5,12-15H2
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ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as reduction in A23187 and AA-stimulated 5-LO product formation preincuba...

Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50365632
PNG
(CHEMBL1957971)
Show SMILES Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C24H30N4O/c1-18-7-12-22-26-23(24(28(22)17-18)25-20-5-3-2-4-6-20)19-8-10-21(11-9-19)27-13-15-29-16-14-27/h7-12,17,20,25H,2-6,13-16H2,1H3
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ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as reduction in A23187 and AA-stimulated 5-LO product formation preincuba...

Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50365633
PNG
(CHEMBL1957972)
Show SMILES Clc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C23H27ClN4O/c24-18-8-11-21-26-22(23(28(21)16-18)25-19-4-2-1-3-5-19)17-6-9-20(10-7-17)27-12-14-29-15-13-27/h6-11,16,19,25H,1-5,12-15H2
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ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as reduction in A23187 and AA-stimulated 5-LO product formation preincuba...

Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50399876
PNG
(CHEMBL2180631)
Show SMILES OC(=O)c1cccn1Cc1ccccc1CNC(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |r,THB:28:20:23:27.25.26,28:26:23:21.20.29|
Show InChI InChI=1S/C24H29N3O3/c28-22(29)21-6-3-7-27(21)15-20-5-2-1-4-19(20)14-25-23(30)26-24-11-16-8-17(12-24)10-18(9-16)13-24/h1-7,16-18H,8-15H2,(H,28,29)(H2,25,26,30)/t16-,17+,18-,24?
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ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of recombinant soluble epoxide hydrolase using PHOME as substrate after 10 mins by fluorescence assay

J Med Chem 55: 10771-5 (2012)


Article DOI: 10.1021/jm301194c
BindingDB Entry DOI: 10.7270/Q28P61PN
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50399865
PNG
(CHEMBL2180630)
Show SMILES OC(=O)c1cccn1Cc1ccc(CNC(=O)NC2CCCCC2)cc1
Show InChI InChI=1S/C20H25N3O3/c24-19(25)18-7-4-12-23(18)14-16-10-8-15(9-11-16)13-21-20(26)22-17-5-2-1-3-6-17/h4,7-12,17H,1-3,5-6,13-14H2,(H,24,25)(H2,21,22,26)
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ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of recombinant soluble epoxide hydrolase using PHOME as substrate after 10 mins by fluorescence assay

J Med Chem 55: 10771-5 (2012)


Article DOI: 10.1021/jm301194c
BindingDB Entry DOI: 10.7270/Q28P61PN
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50399877
PNG
(CHEMBL2180636)
Show SMILES OC(=O)c1cccn1Cc1ccc(CNC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C21H18F3N3O4/c22-21(23,24)31-17-9-7-16(8-10-17)26-20(30)25-12-14-3-5-15(6-4-14)13-27-11-1-2-18(27)19(28)29/h1-11H,12-13H2,(H,28,29)(H2,25,26,30)
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n/an/a 258n/an/an/an/an/an/a



ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of recombinant soluble epoxide hydrolase using PHOME as substrate after 10 mins by fluorescence assay

J Med Chem 55: 10771-5 (2012)


Article DOI: 10.1021/jm301194c
BindingDB Entry DOI: 10.7270/Q28P61PN
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50365617
PNG
(CHEMBL1958142)
Show SMILES Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H27N3O/c1-19-12-17-24-28-25(26(29(24)18-19)27-21-8-4-2-5-9-21)20-13-15-23(16-14-20)30-22-10-6-3-7-11-22/h3,6-7,10-18,21,27H,2,4-5,8-9H2,1H3
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ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as reduction in A23187 and AA-stimulated 5-LO product formation preincuba...

Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50365633
PNG
(CHEMBL1957972)
Show SMILES Clc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C23H27ClN4O/c24-18-8-11-21-26-22(23(28(21)16-18)25-19-4-2-1-3-5-19)17-6-9-20(10-7-17)27-12-14-29-15-13-27/h6-11,16,19,25H,1-5,12-15H2
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ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in S100 cell free fraction of human polymorphonuclear leukocytes assessed as reduction in 5-LO product formation preincu...

Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50365616
PNG
(CHEMBL1958141)
Show SMILES Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C27H29N3O/c1-20-12-17-25-29-26(27(30(25)18-20)28-23-10-6-3-7-11-23)22-13-15-24(16-14-22)31-19-21-8-4-2-5-9-21/h2,4-5,8-9,12-18,23,28H,3,6-7,10-11,19H2,1H3
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ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as reduction in A23187 and AA-stimulated 5-LO product formation preincuba...

Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50399880
PNG
(CHEMBL2180632)
Show SMILES OC(=O)c1cccn1Cc1cccc(CNC(=O)NC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)c1 |r,TLB:18:19:26.21.22:24,THB:20:21:24:27.19.28,20:19:26.21.22:24,22:21:27:23.24.28|
Show InChI InChI=1S/C24H29N3O3/c28-22(29)21-5-2-6-27(21)15-17-4-1-3-16(7-17)14-25-23(30)26-24-11-18-8-19(12-24)10-20(9-18)13-24/h1-7,18-20H,8-15H2,(H,28,29)(H2,25,26,30)/t18-,19+,20-,24?
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ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of recombinant soluble epoxide hydrolase using PHOME as substrate after 10 mins by fluorescence assay

J Med Chem 55: 10771-5 (2012)


Article DOI: 10.1021/jm301194c
BindingDB Entry DOI: 10.7270/Q28P61PN
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50365629
PNG
(CHEMBL1957968)
Show SMILES O=C(Nc1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1)c1cccs1
Show InChI InChI=1S/C24H24N4OS/c29-24(20-9-6-16-30-20)26-19-13-11-17(12-14-19)22-23(25-18-7-2-1-3-8-18)28-15-5-4-10-21(28)27-22/h4-6,9-16,18,25H,1-3,7-8H2,(H,26,29)
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ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in S100 cell free fraction of human polymorphonuclear leukocytes assessed as reduction in 5-LO product formation preincu...

Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50365629
PNG
(CHEMBL1957968)
Show SMILES O=C(Nc1ccc(cc1)-c1nc2ccccn2c1NC1CCCCC1)c1cccs1
Show InChI InChI=1S/C24H24N4OS/c29-24(20-9-6-16-30-20)26-19-13-11-17(12-14-19)22-23(25-18-7-2-1-3-8-18)28-15-5-4-10-21(28)27-22/h4-6,9-16,18,25H,1-3,7-8H2,(H,26,29)
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ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as reduction in A23187 and AA-stimulated 5-LO product formation preincuba...

Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50365635
PNG
(CHEMBL1957974)
Show SMILES C1CCC(CC1)Nc1c(nc2ccccn12)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C23H28N4O/c1-2-6-19(7-3-1)24-23-22(25-21-8-4-5-13-27(21)23)18-9-11-20(12-10-18)26-14-16-28-17-15-26/h4-5,8-13,19,24H,1-3,6-7,14-17H2
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ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as reduction in A23187 and AA-stimulated 5-LO product formation preincuba...

Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50365644
PNG
(CHEMBL1958138)
Show SMILES COc1cccc(c1)-c1nc2ccc(C)cn2c1NC1CCCCC1
Show InChI InChI=1S/C21H25N3O/c1-15-11-12-19-23-20(16-7-6-10-18(13-16)25-2)21(24(19)14-15)22-17-8-4-3-5-9-17/h6-7,10-14,17,22H,3-5,8-9H2,1-2H3
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ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in S100 cell free fraction of human polymorphonuclear leukocytes assessed as reduction in 5-LO product formation preincu...

Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50365618
PNG
(CHEMBL1958143)
Show SMILES Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C27H29N3O/c1-20-15-16-25-29-26(27(30(25)18-20)28-23-12-6-3-7-13-23)22-11-8-14-24(17-22)31-19-21-9-4-2-5-10-21/h2,4-5,8-11,14-18,23,28H,3,6-7,12-13,19H2,1H3
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ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as reduction in A23187 and AA-stimulated 5-LO product formation preincuba...

Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50365637
PNG
(CHEMBL1957976)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(cc1)-c1nc2ccc(Cl)cn2c1NC1CCCCC1
Show InChI InChI=1S/C28H36ClN5O2/c1-28(2,3)36-27(35)33-17-15-32(16-18-33)23-12-9-20(10-13-23)25-26(30-22-7-5-4-6-8-22)34-19-21(29)11-14-24(34)31-25/h9-14,19,22,30H,4-8,15-18H2,1-3H3
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ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as reduction in A23187 and AA-stimulated 5-LO product formation preincuba...

Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50365628
PNG
(CHEMBL1957967)
Show SMILES COc1ccc(cc1)-c1nc2ccc(C)cn2c1NC1CCCCC1
Show InChI InChI=1S/C21H25N3O/c1-15-8-13-19-23-20(16-9-11-18(25-2)12-10-16)21(24(19)14-15)22-17-6-4-3-5-7-17/h8-14,17,22H,3-7H2,1-2H3
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ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in S100 cell free fraction of human polymorphonuclear leukocytes assessed as reduction in 5-LO product formation preincu...

Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50000541
PNG
((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...)
Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1
Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
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n/an/a 500n/an/an/an/an/an/a



ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase

Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50365646
PNG
(CHEMBL1958140)
Show SMILES Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C26H27N3O/c1-19-15-16-24-28-25(26(29(24)18-19)27-21-10-4-2-5-11-21)20-9-8-14-23(17-20)30-22-12-6-3-7-13-22/h3,6-9,12-18,21,27H,2,4-5,10-11H2,1H3
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n/an/a 500n/an/an/an/an/an/a



ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as reduction in A23187 and AA-stimulated 5-LO product formation preincuba...

Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50365643
PNG
(CHEMBL1957982)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ccc(Cl)cc2n1CC1CCCCC1
Show InChI InChI=1S/C22H26ClN3/c1-25(2)19-11-8-17(9-12-19)22-24-20-13-10-18(23)14-21(20)26(22)15-16-6-4-3-5-7-16/h8-14,16H,3-7,15H2,1-2H3
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n/an/a 500n/an/an/an/an/an/a



ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as reduction in A23187 and AA-stimulated 5-LO product formation preincuba...

Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50365635
PNG
(CHEMBL1957974)
Show SMILES C1CCC(CC1)Nc1c(nc2ccccn12)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C23H28N4O/c1-2-6-19(7-3-1)24-23-22(25-21-8-4-5-13-27(21)23)18-9-11-20(12-10-18)26-14-16-28-17-15-26/h4-5,8-13,19,24H,1-3,6-7,14-17H2
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n/an/a 510n/an/an/an/an/an/a



ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in S100 cell free fraction of human polymorphonuclear leukocytes assessed as reduction in 5-LO product formation preincu...

Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50365626
PNG
(CHEMBL1957965)
Show SMILES Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(O)cc1
Show InChI InChI=1S/C20H23N3O/c1-14-7-12-18-22-19(15-8-10-17(24)11-9-15)20(23(18)13-14)21-16-5-3-2-4-6-16/h7-13,16,21,24H,2-6H2,1H3
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n/an/a 600n/an/an/an/an/an/a



ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in S100 cell free fraction of human polymorphonuclear leukocytes assessed as reduction in 5-LO product formation preincu...

Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50365620
PNG
(CHEMBL1957963)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ccc(C)cn2c1NC1CCCCC1
Show InChI InChI=1S/C22H28N4/c1-16-9-14-20-24-21(17-10-12-19(13-11-17)25(2)3)22(26(20)15-16)23-18-7-5-4-6-8-18/h9-15,18,23H,4-8H2,1-3H3
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n/an/a 600n/an/an/an/an/an/a



ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as reduction in A23187 and AA-stimulated 5-LO product formation preincuba...

Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50365641
PNG
(CHEMBL1957980)
Show SMILES C1CCC(CC1)Nc1c(nc2sccn12)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C21H26N4OS/c1-2-4-17(5-3-1)22-20-19(23-21-25(20)12-15-27-21)16-6-8-18(9-7-16)24-10-13-26-14-11-24/h6-9,12,15,17,22H,1-5,10-11,13-14H2
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n/an/a 610n/an/an/an/an/an/a



ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in S100 cell free fraction of human polymorphonuclear leukocytes assessed as reduction in 5-LO product formation preincu...

Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50399868
PNG
(CHEMBL2180627)
Show SMILES CCOC(=O)c1cccn1Cc1ccc(CNC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C23H22F3N3O4/c1-2-32-21(30)20-4-3-13-29(20)15-17-7-5-16(6-8-17)14-27-22(31)28-18-9-11-19(12-10-18)33-23(24,25)26/h3-13H,2,14-15H2,1H3,(H2,27,28,31)
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n/an/a 611n/an/an/an/an/an/a



ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of recombinant soluble epoxide hydrolase using PHOME as substrate after 10 mins by fluorescence assay

J Med Chem 55: 10771-5 (2012)


Article DOI: 10.1021/jm301194c
BindingDB Entry DOI: 10.7270/Q28P61PN
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50365645
PNG
(CHEMBL1958139)
Show SMILES COc1ccc(cc1OC)-c1nc2ccc(C)cn2c1NC1CCCCC1
Show InChI InChI=1S/C22H27N3O2/c1-15-9-12-20-24-21(16-10-11-18(26-2)19(13-16)27-3)22(25(20)14-15)23-17-7-5-4-6-8-17/h9-14,17,23H,4-8H2,1-3H3
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n/an/a 720n/an/an/an/an/an/a



ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in S100 cell free fraction of human polymorphonuclear leukocytes assessed as reduction in 5-LO product formation preincu...

Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50399867
PNG
(CHEMBL2180628)
Show SMILES OC(=O)c1cccn1Cc1ccccc1CNC(=O)NC1CCCCC1
Show InChI InChI=1S/C20H25N3O3/c24-19(25)18-11-6-12-23(18)14-16-8-5-4-7-15(16)13-21-20(26)22-17-9-2-1-3-10-17/h4-8,11-12,17H,1-3,9-10,13-14H2,(H,24,25)(H2,21,22,26)
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n/an/a 747n/an/an/an/an/an/a



ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of recombinant soluble epoxide hydrolase using PHOME as substrate after 10 mins by fluorescence assay

J Med Chem 55: 10771-5 (2012)


Article DOI: 10.1021/jm301194c
BindingDB Entry DOI: 10.7270/Q28P61PN
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50365634
PNG
(CHEMBL1957973)
Show SMILES Brc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C23H27BrN4O/c24-18-8-11-21-26-22(23(28(21)16-18)25-19-4-2-1-3-5-19)17-6-9-20(10-7-17)27-12-14-29-15-13-27/h6-11,16,19,25H,1-5,12-15H2
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n/an/a 770n/an/an/an/an/an/a



ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in S100 cell free fraction of human polymorphonuclear leukocytes assessed as reduction in 5-LO product formation preincu...

Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50365627
PNG
(CHEMBL1957966)
Show SMILES Oc1ccc(cc1)-c1nc2ccc(Br)cn2c1NC1CCCCC1
Show InChI InChI=1S/C19H20BrN3O/c20-14-8-11-17-22-18(13-6-9-16(24)10-7-13)19(23(17)12-14)21-15-4-2-1-3-5-15/h6-12,15,21,24H,1-5H2
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n/an/a 900n/an/an/an/an/an/a



ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in S100 cell free fraction of human polymorphonuclear leukocytes assessed as reduction in 5-LO product formation preincu...

Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))		BDBM50365619
PNG
(CHEMBL1955887)
Show SMILES Cc1ccc(cc1)-c1nc2cc(C)ccn2c1NC1CCCC1
Show InChI InChI=1S/C20H23N3/c1-14-7-9-16(10-8-14)19-20(21-17-5-3-4-6-17)23-12-11-15(2)13-18(23)22-19/h7-13,17,21H,3-6H2,1-2H3
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n/an/a 900n/an/an/an/an/an/a



ZAFES/LiFF/OSF Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as reduction in A23187 and AA-stimulated 5-LO product formation preincuba...

Bioorg Med Chem Lett 22: 1969-75 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.038
BindingDB Entry DOI: 10.7270/Q2P84CCK
More data for this
Ligand-Target Pair
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