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Compile Data Set for Download or QSAR

Found 136 hits with Last Name = 'campbell' and Initial = 'wb'   
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))
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 3n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus system assessed as appearance of 6-methoxynapthaldehyde product by...


J Med Chem 52: 5069-75 (2010)


Article DOI: 10.1021/jm900634w
BindingDB Entry DOI: 10.7270/Q28915W9
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 3n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay


J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057466
PNG
(CHEMBL3322807 | US9127027, 13 | US9422318, 13)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCSc1ccccc1O
Show InChI InChI=1S/C23H38N2O2S/c1-2-3-13-18-24-23(27)25-19-14-9-7-5-4-6-8-10-15-20-28-22-17-12-11-16-21(22)26/h4-5,11-12,16-17,26H,2-3,6-10,13-15,18-20H2,1H3,(H2,24,25,27)/b5-4-
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n/an/a 6n/an/an/an/an/an/a



The Medical College of Wisconsin, Inc.; The Board of Regents of the University of Texas System

US Patent


Assay Description
Compounds were tested for their ability to inhibit recombinant soluble epoxide hydrolase (sEH) protein. The assay utilizes (3-Phhenyl-oxiranyl)-aceti...


US Patent US9422318 (2016)


BindingDB Entry DOI: 10.7270/Q2BV7FH3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057466
PNG
(CHEMBL3322807 | US9127027, 13 | US9422318, 13)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCSc1ccccc1O
Show InChI InChI=1S/C23H38N2O2S/c1-2-3-13-18-24-23(27)25-19-14-9-7-5-4-6-8-10-15-20-28-22-17-12-11-16-21(22)26/h4-5,11-12,16-17,26H,2-3,6-10,13-15,18-20H2,1H3,(H2,24,25,27)/b5-4-
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n/an/a 6n/an/an/an/an/an/a



The Medical College of Wisconsin, Inc.; The Board of Regents of the University of Texas System

US Patent


Assay Description
Compounds were tested for their ability to inhibit recombinant soluble epoxide hydrolase (sEH) protein. The assay utilizes (3-Phhenyl-oxiranyl)-aceti...


US Patent US9127027 (2015)


BindingDB Entry DOI: 10.7270/Q2833QTQ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057466
PNG
(CHEMBL3322807 | US9127027, 13 | US9422318, 13)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCSc1ccccc1O
Show InChI InChI=1S/C23H38N2O2S/c1-2-3-13-18-24-23(27)25-19-14-9-7-5-4-6-8-10-15-20-28-22-17-12-11-16-21(22)26/h4-5,11-12,16-17,26H,2-3,6-10,13-15,18-20H2,1H3,(H2,24,25,27)/b5-4-
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n/an/a 6n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay


J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057625
PNG
(CHEMBL3322818 | US9127027, 25 | US9422318, 25)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCCC1=NOS(=O)N1 |t:21|
Show InChI InChI=1S/C19H36N4O3S/c1-2-3-13-16-20-19(24)21-17-14-11-9-7-5-4-6-8-10-12-15-18-22-26-27(25)23-18/h5,7H,2-4,6,8-17H2,1H3,(H,22,23)(H2,20,21,24)/b7-5-
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n/an/a 10n/an/an/an/an/an/a



The Medical College of Wisconsin, Inc.; The Board of Regents of the University of Texas System

US Patent


Assay Description
Compounds were tested for their ability to inhibit recombinant soluble epoxide hydrolase (sEH) protein. The assay utilizes (3-Phhenyl-oxiranyl)-aceti...


US Patent US9422318 (2016)


BindingDB Entry DOI: 10.7270/Q2BV7FH3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057625
PNG
(CHEMBL3322818 | US9127027, 25 | US9422318, 25)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCCC1=NOS(=O)N1 |t:21|
Show InChI InChI=1S/C19H36N4O3S/c1-2-3-13-16-20-19(24)21-17-14-11-9-7-5-4-6-8-10-12-15-18-22-26-27(25)23-18/h5,7H,2-4,6,8-17H2,1H3,(H,22,23)(H2,20,21,24)/b7-5-
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n/an/a 10n/an/an/an/an/an/a



The Medical College of Wisconsin, Inc.; The Board of Regents of the University of Texas System

US Patent


Assay Description
Compounds were tested for their ability to inhibit recombinant soluble epoxide hydrolase (sEH) protein. The assay utilizes (3-Phhenyl-oxiranyl)-aceti...


US Patent US9127027 (2015)


BindingDB Entry DOI: 10.7270/Q2833QTQ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057625
PNG
(CHEMBL3322818 | US9127027, 25 | US9422318, 25)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCCC1=NOS(=O)N1 |t:21|
Show InChI InChI=1S/C19H36N4O3S/c1-2-3-13-16-20-19(24)21-17-14-11-9-7-5-4-6-8-10-12-15-18-22-26-27(25)23-18/h5,7H,2-4,6,8-17H2,1H3,(H,22,23)(H2,20,21,24)/b7-5-
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n/an/a 10n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay


J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057474
PNG
(CHEMBL3322808 | US9127027, 14 | US9422318, 14)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCS(=O)(=O)c1ccccc1O
Show InChI InChI=1S/C23H38N2O4S/c1-2-3-13-18-24-23(27)25-19-14-9-7-5-4-6-8-10-15-20-30(28,29)22-17-12-11-16-21(22)26/h4-5,11-12,16-17,26H,2-3,6-10,13-15,18-20H2,1H3,(H2,24,25,27)/b5-4-
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n/an/a 11n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay


J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057494
PNG
(CHEMBL3322814 | US9127027, 20 | US9127027, LGK-I-1...)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCCc1nnn[nH]1
Show InChI InChI=1S/C19H36N6O/c1-2-3-13-16-20-19(26)21-17-14-11-9-7-5-4-6-8-10-12-15-18-22-24-25-23-18/h5,7H,2-4,6,8-17H2,1H3,(H2,20,21,26)(H,22,23,24,25)/b7-5-
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n/an/a 11n/an/an/an/an/an/a



The Medical College of Wisconsin, Inc.; The Board of Regents of the University of Texas System

US Patent


Assay Description
Compounds were tested for their ability to inhibit recombinant soluble epoxide hydrolase (sEH) protein. The assay utilizes (3-Phhenyl-oxiranyl)-aceti...


US Patent US9422318 (2016)


BindingDB Entry DOI: 10.7270/Q2BV7FH3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057474
PNG
(CHEMBL3322808 | US9127027, 14 | US9422318, 14)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCS(=O)(=O)c1ccccc1O
Show InChI InChI=1S/C23H38N2O4S/c1-2-3-13-18-24-23(27)25-19-14-9-7-5-4-6-8-10-15-20-30(28,29)22-17-12-11-16-21(22)26/h4-5,11-12,16-17,26H,2-3,6-10,13-15,18-20H2,1H3,(H2,24,25,27)/b5-4-
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n/an/a 11n/an/an/an/an/an/a



The Medical College of Wisconsin, Inc.; The Board of Regents of the University of Texas System

US Patent


Assay Description
Compounds were tested for their ability to inhibit recombinant soluble epoxide hydrolase (sEH) protein. The assay utilizes (3-Phhenyl-oxiranyl)-aceti...


US Patent US9422318 (2016)


BindingDB Entry DOI: 10.7270/Q2BV7FH3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057494
PNG
(CHEMBL3322814 | US9127027, 20 | US9127027, LGK-I-1...)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCCc1nnn[nH]1
Show InChI InChI=1S/C19H36N6O/c1-2-3-13-16-20-19(26)21-17-14-11-9-7-5-4-6-8-10-12-15-18-22-24-25-23-18/h5,7H,2-4,6,8-17H2,1H3,(H2,20,21,26)(H,22,23,24,25)/b7-5-
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n/an/a 11n/an/an/an/an/an/a



The Medical College of Wisconsin, Inc.; The Board of Regents of the University of Texas System

US Patent


Assay Description
Compounds were tested for their ability to inhibit recombinant soluble epoxide hydrolase (sEH) protein. The assay utilizes (3-Phhenyl-oxiranyl)-aceti...


US Patent US9127027 (2015)


BindingDB Entry DOI: 10.7270/Q2833QTQ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057494
PNG
(CHEMBL3322814 | US9127027, 20 | US9127027, LGK-I-1...)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCCc1nnn[nH]1
Show InChI InChI=1S/C19H36N6O/c1-2-3-13-16-20-19(26)21-17-14-11-9-7-5-4-6-8-10-12-15-18-22-24-25-23-18/h5,7H,2-4,6,8-17H2,1H3,(H2,20,21,26)(H,22,23,24,25)/b7-5-
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n/an/a 11n/an/an/an/an/an/a



The Medical College of Wisconsin, Inc.; The Board of Regents of the University of Texas System

US Patent


Assay Description
Compounds were tested for their ability to inhibit recombinant soluble epoxide hydrolase (sEH) protein. The assay utilizes (3-Phhenyl-oxiranyl)-aceti...


US Patent US9422318 (2016)


BindingDB Entry DOI: 10.7270/Q2BV7FH3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057494
PNG
(CHEMBL3322814 | US9127027, 20 | US9127027, LGK-I-1...)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCCc1nnn[nH]1
Show InChI InChI=1S/C19H36N6O/c1-2-3-13-16-20-19(26)21-17-14-11-9-7-5-4-6-8-10-12-15-18-22-24-25-23-18/h5,7H,2-4,6,8-17H2,1H3,(H2,20,21,26)(H,22,23,24,25)/b7-5-
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n/an/a 11n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay


J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057474
PNG
(CHEMBL3322808 | US9127027, 14 | US9422318, 14)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCS(=O)(=O)c1ccccc1O
Show InChI InChI=1S/C23H38N2O4S/c1-2-3-13-18-24-23(27)25-19-14-9-7-5-4-6-8-10-15-20-30(28,29)22-17-12-11-16-21(22)26/h4-5,11-12,16-17,26H,2-3,6-10,13-15,18-20H2,1H3,(H2,24,25,27)/b5-4-
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n/an/a 11n/an/an/an/an/an/a



The Medical College of Wisconsin, Inc.; The Board of Regents of the University of Texas System

US Patent


Assay Description
Compounds were tested for their ability to inhibit recombinant soluble epoxide hydrolase (sEH) protein. The assay utilizes (3-Phhenyl-oxiranyl)-aceti...


US Patent US9127027 (2015)


BindingDB Entry DOI: 10.7270/Q2833QTQ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057494
PNG
(CHEMBL3322814 | US9127027, 20 | US9127027, LGK-I-1...)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCCc1nnn[nH]1
Show InChI InChI=1S/C19H36N6O/c1-2-3-13-16-20-19(26)21-17-14-11-9-7-5-4-6-8-10-12-15-18-22-24-25-23-18/h5,7H,2-4,6,8-17H2,1H3,(H2,20,21,26)(H,22,23,24,25)/b7-5-
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n/an/a 11n/an/an/an/an/an/a



The Medical College of Wisconsin, Inc.; The Board of Regents of the University of Texas System

US Patent


Assay Description
Compounds were tested for their ability to inhibit recombinant soluble epoxide hydrolase (sEH) protein. The assay utilizes (3-Phhenyl-oxiranyl)-aceti...


US Patent US9127027 (2015)


BindingDB Entry DOI: 10.7270/Q2833QTQ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50295082
PNG
(12-(3-n-Hexylureido)dodec-8(Z)-enoic acid | CHEMBL...)
Show SMILES CCCCCCNC(=O)NCCC\C=C/CCCCCCC(O)=O
Show InChI InChI=1S/C19H36N2O3/c1-2-3-4-13-16-20-19(24)21-17-14-11-9-7-5-6-8-10-12-15-18(22)23/h7,9H,2-6,8,10-17H2,1H3,(H,22,23)(H2,20,21,24)/b9-7-
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n/an/a 16n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus system assessed as appearance of 6-methoxynapthaldehyde product by...


J Med Chem 52: 5069-75 (2010)


Article DOI: 10.1021/jm900634w
BindingDB Entry DOI: 10.7270/Q28915W9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057480
PNG
(CHEMBL3322809 | US9127027, 15 | US9422318, 15)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCSc1nnn[nH]1
Show InChI InChI=1S/C18H34N6OS/c1-2-3-11-14-19-17(25)20-15-12-9-7-5-4-6-8-10-13-16-26-18-21-23-24-22-18/h4-5H,2-3,6-16H2,1H3,(H2,19,20,25)(H,21,22,23,24)/b5-4-
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n/an/a 22n/an/an/an/an/an/a



The Medical College of Wisconsin, Inc.; The Board of Regents of the University of Texas System

US Patent


Assay Description
Compounds were tested for their ability to inhibit recombinant soluble epoxide hydrolase (sEH) protein. The assay utilizes (3-Phhenyl-oxiranyl)-aceti...


US Patent US9127027 (2015)


BindingDB Entry DOI: 10.7270/Q2833QTQ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057480
PNG
(CHEMBL3322809 | US9127027, 15 | US9422318, 15)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCSc1nnn[nH]1
Show InChI InChI=1S/C18H34N6OS/c1-2-3-11-14-19-17(25)20-15-12-9-7-5-4-6-8-10-13-16-26-18-21-23-24-22-18/h4-5H,2-3,6-16H2,1H3,(H2,19,20,25)(H,21,22,23,24)/b5-4-
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n/an/a 22n/an/an/an/an/an/a



The Medical College of Wisconsin, Inc.; The Board of Regents of the University of Texas System

US Patent


Assay Description
Compounds were tested for their ability to inhibit recombinant soluble epoxide hydrolase (sEH) protein. The assay utilizes (3-Phhenyl-oxiranyl)-aceti...


US Patent US9422318 (2016)


BindingDB Entry DOI: 10.7270/Q2BV7FH3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057480
PNG
(CHEMBL3322809 | US9127027, 15 | US9422318, 15)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCSc1nnn[nH]1
Show InChI InChI=1S/C18H34N6OS/c1-2-3-11-14-19-17(25)20-15-12-9-7-5-4-6-8-10-13-16-26-18-21-23-24-22-18/h4-5H,2-3,6-16H2,1H3,(H2,19,20,25)(H,21,22,23,24)/b5-4-
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n/an/a 22n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay


J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057491
PNG
(CHEMBL3322812 | US9127027, 18 | US9422318, 18)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCS(=O)(=O)c1ncn[nH]1
Show InChI InChI=1S/C19H35N5O3S/c1-2-3-11-14-20-18(25)21-15-12-9-7-5-4-6-8-10-13-16-28(26,27)19-22-17-23-24-19/h4-5,17H,2-3,6-16H2,1H3,(H2,20,21,25)(H,22,23,24)/b5-4-
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n/an/a 23n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay


J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057491
PNG
(CHEMBL3322812 | US9127027, 18 | US9422318, 18)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCS(=O)(=O)c1ncn[nH]1
Show InChI InChI=1S/C19H35N5O3S/c1-2-3-11-14-20-18(25)21-15-12-9-7-5-4-6-8-10-13-16-28(26,27)19-22-17-23-24-19/h4-5,17H,2-3,6-16H2,1H3,(H2,20,21,25)(H,22,23,24)/b5-4-
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n/an/a 23n/an/an/an/an/an/a



The Medical College of Wisconsin, Inc.; The Board of Regents of the University of Texas System

US Patent


Assay Description
Compounds were tested for their ability to inhibit recombinant soluble epoxide hydrolase (sEH) protein. The assay utilizes (3-Phhenyl-oxiranyl)-aceti...


US Patent US9127027 (2015)


BindingDB Entry DOI: 10.7270/Q2833QTQ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057491
PNG
(CHEMBL3322812 | US9127027, 18 | US9422318, 18)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCS(=O)(=O)c1ncn[nH]1
Show InChI InChI=1S/C19H35N5O3S/c1-2-3-11-14-20-18(25)21-15-12-9-7-5-4-6-8-10-13-16-28(26,27)19-22-17-23-24-19/h4-5,17H,2-3,6-16H2,1H3,(H2,20,21,25)(H,22,23,24)/b5-4-
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n/an/a 23n/an/an/an/an/an/a



The Medical College of Wisconsin, Inc.; The Board of Regents of the University of Texas System

US Patent


Assay Description
Compounds were tested for their ability to inhibit recombinant soluble epoxide hydrolase (sEH) protein. The assay utilizes (3-Phhenyl-oxiranyl)-aceti...


US Patent US9422318 (2016)


BindingDB Entry DOI: 10.7270/Q2BV7FH3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057633
PNG
(CHEMBL3322821 | US9127027, 28 | US9422318, 28)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCCc1noc(=S)[nH]1
Show InChI InChI=1S/C20H36N4O2S/c1-2-3-13-16-21-19(25)22-17-14-11-9-7-5-4-6-8-10-12-15-18-23-20(27)26-24-18/h5,7H,2-4,6,8-17H2,1H3,(H2,21,22,25)(H,23,24,27)/b7-5-
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n/an/a 31n/an/an/an/an/an/a



The Medical College of Wisconsin, Inc.; The Board of Regents of the University of Texas System

US Patent


Assay Description
Compounds were tested for their ability to inhibit recombinant soluble epoxide hydrolase (sEH) protein. The assay utilizes (3-Phhenyl-oxiranyl)-aceti...


US Patent US9127027 (2015)


BindingDB Entry DOI: 10.7270/Q2833QTQ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057633
PNG
(CHEMBL3322821 | US9127027, 28 | US9422318, 28)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCCc1noc(=S)[nH]1
Show InChI InChI=1S/C20H36N4O2S/c1-2-3-13-16-21-19(25)22-17-14-11-9-7-5-4-6-8-10-12-15-18-23-20(27)26-24-18/h5,7H,2-4,6,8-17H2,1H3,(H2,21,22,25)(H,23,24,27)/b7-5-
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n/an/a 31n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay


J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057633
PNG
(CHEMBL3322821 | US9127027, 28 | US9422318, 28)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCCc1noc(=S)[nH]1
Show InChI InChI=1S/C20H36N4O2S/c1-2-3-13-16-21-19(25)22-17-14-11-9-7-5-4-6-8-10-12-15-18-23-20(27)26-24-18/h5,7H,2-4,6,8-17H2,1H3,(H2,21,22,25)(H,23,24,27)/b7-5-
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n/an/a 31n/an/an/an/an/an/a



The Medical College of Wisconsin, Inc.; The Board of Regents of the University of Texas System

US Patent


Assay Description
Compounds were tested for their ability to inhibit recombinant soluble epoxide hydrolase (sEH) protein. The assay utilizes (3-Phhenyl-oxiranyl)-aceti...


US Patent US9422318 (2016)


BindingDB Entry DOI: 10.7270/Q2BV7FH3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057450
PNG
(CHEMBL3322804 | US9127027, 12 | US9422318, 12)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCNS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H39N3O3S/c1-2-3-14-19-24-23(27)25-20-15-9-7-5-4-6-8-10-16-21-26-30(28,29)22-17-12-11-13-18-22/h4-5,11-13,17-18,26H,2-3,6-10,14-16,19-21H2,1H3,(H2,24,25,27)/b5-4-
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n/an/a 32n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay


J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057481
PNG
(CHEMBL3322810 | US9127027, 16 | US9422318, 16)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCSc1ncn[nH]1
Show InChI InChI=1S/C19H35N5OS/c1-2-3-11-14-20-18(25)21-15-12-9-7-5-4-6-8-10-13-16-26-19-22-17-23-24-19/h4-5,17H,2-3,6-16H2,1H3,(H2,20,21,25)(H,22,23,24)/b5-4-
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n/an/a 32n/an/an/an/an/an/a



The Medical College of Wisconsin, Inc.; The Board of Regents of the University of Texas System

US Patent


Assay Description
Compounds were tested for their ability to inhibit recombinant soluble epoxide hydrolase (sEH) protein. The assay utilizes (3-Phhenyl-oxiranyl)-aceti...


US Patent US9422318 (2016)


BindingDB Entry DOI: 10.7270/Q2BV7FH3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057450
PNG
(CHEMBL3322804 | US9127027, 12 | US9422318, 12)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCNS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H39N3O3S/c1-2-3-14-19-24-23(27)25-20-15-9-7-5-4-6-8-10-16-21-26-30(28,29)22-17-12-11-13-18-22/h4-5,11-13,17-18,26H,2-3,6-10,14-16,19-21H2,1H3,(H2,24,25,27)/b5-4-
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n/an/a 32n/an/an/an/an/an/a



The Medical College of Wisconsin, Inc.; The Board of Regents of the University of Texas System

US Patent


Assay Description
Compounds were tested for their ability to inhibit recombinant soluble epoxide hydrolase (sEH) protein. The assay utilizes (3-Phhenyl-oxiranyl)-aceti...


US Patent US9422318 (2016)


BindingDB Entry DOI: 10.7270/Q2BV7FH3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057481
PNG
(CHEMBL3322810 | US9127027, 16 | US9422318, 16)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCSc1ncn[nH]1
Show InChI InChI=1S/C19H35N5OS/c1-2-3-11-14-20-18(25)21-15-12-9-7-5-4-6-8-10-13-16-26-19-22-17-23-24-19/h4-5,17H,2-3,6-16H2,1H3,(H2,20,21,25)(H,22,23,24)/b5-4-
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n/an/a 32n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay


J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057497
PNG
(CHEMBL3322815 | US9127027, 22 | US9422318, 22)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCCCc1nnn[nH]1
Show InChI InChI=1S/C20H38N6O/c1-2-3-14-17-21-20(27)22-18-15-12-10-8-6-4-5-7-9-11-13-16-19-23-25-26-24-19/h6,8H,2-5,7,9-18H2,1H3,(H2,21,22,27)(H,23,24,25,26)/b8-6-
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n/an/a 32n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay


J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057450
PNG
(CHEMBL3322804 | US9127027, 12 | US9422318, 12)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCNS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H39N3O3S/c1-2-3-14-19-24-23(27)25-20-15-9-7-5-4-6-8-10-16-21-26-30(28,29)22-17-12-11-13-18-22/h4-5,11-13,17-18,26H,2-3,6-10,14-16,19-21H2,1H3,(H2,24,25,27)/b5-4-
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n/an/a 32n/an/an/an/an/an/a



The Medical College of Wisconsin, Inc.; The Board of Regents of the University of Texas System

US Patent


Assay Description
Compounds were tested for their ability to inhibit recombinant soluble epoxide hydrolase (sEH) protein. The assay utilizes (3-Phhenyl-oxiranyl)-aceti...


US Patent US9127027 (2015)


BindingDB Entry DOI: 10.7270/Q2833QTQ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057481
PNG
(CHEMBL3322810 | US9127027, 16 | US9422318, 16)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCSc1ncn[nH]1
Show InChI InChI=1S/C19H35N5OS/c1-2-3-11-14-20-18(25)21-15-12-9-7-5-4-6-8-10-13-16-26-19-22-17-23-24-19/h4-5,17H,2-3,6-16H2,1H3,(H2,20,21,25)(H,22,23,24)/b5-4-
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n/an/a 32n/an/an/an/an/an/a



The Medical College of Wisconsin, Inc.; The Board of Regents of the University of Texas System

US Patent


Assay Description
Compounds were tested for their ability to inhibit recombinant soluble epoxide hydrolase (sEH) protein. The assay utilizes (3-Phhenyl-oxiranyl)-aceti...


US Patent US9127027 (2015)


BindingDB Entry DOI: 10.7270/Q2833QTQ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057497
PNG
(CHEMBL3322815 | US9127027, 22 | US9422318, 22)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCCCc1nnn[nH]1
Show InChI InChI=1S/C20H38N6O/c1-2-3-14-17-21-20(27)22-18-15-12-10-8-6-4-5-7-9-11-13-16-19-23-25-26-24-19/h6,8H,2-5,7,9-18H2,1H3,(H2,21,22,27)(H,23,24,25,26)/b8-6-
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n/an/a 32n/an/an/an/an/an/a



The Medical College of Wisconsin, Inc.; The Board of Regents of the University of Texas System

US Patent


Assay Description
Compounds were tested for their ability to inhibit recombinant soluble epoxide hydrolase (sEH) protein. The assay utilizes (3-Phhenyl-oxiranyl)-aceti...


US Patent US9127027 (2015)


BindingDB Entry DOI: 10.7270/Q2833QTQ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057497
PNG
(CHEMBL3322815 | US9127027, 22 | US9422318, 22)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCCCc1nnn[nH]1
Show InChI InChI=1S/C20H38N6O/c1-2-3-14-17-21-20(27)22-18-15-12-10-8-6-4-5-7-9-11-13-16-19-23-25-26-24-19/h6,8H,2-5,7,9-18H2,1H3,(H2,21,22,27)(H,23,24,25,26)/b8-6-
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n/an/a 32n/an/an/an/an/an/a



The Medical College of Wisconsin, Inc.; The Board of Regents of the University of Texas System

US Patent


Assay Description
Compounds were tested for their ability to inhibit recombinant soluble epoxide hydrolase (sEH) protein. The assay utilizes (3-Phhenyl-oxiranyl)-aceti...


US Patent US9422318 (2016)


BindingDB Entry DOI: 10.7270/Q2BV7FH3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057445
PNG
(CHEMBL3322802 | US9127027, 8 | US9422318, 8)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCCC(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H41N3O4S/c1-2-3-16-21-26-25(30)27-22-17-11-9-7-5-4-6-8-10-15-20-24(29)28-33(31,32)23-18-13-12-14-19-23/h5,7,12-14,18-19H,2-4,6,8-11,15-17,20-22H2,1H3,(H,28,29)(H2,26,27,30)/b7-5-
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n/an/a 41n/an/an/an/an/an/a



The Medical College of Wisconsin, Inc.; The Board of Regents of the University of Texas System

US Patent


Assay Description
Compounds were tested for their ability to inhibit recombinant soluble epoxide hydrolase (sEH) protein. The assay utilizes (3-Phhenyl-oxiranyl)-aceti...


US Patent US9127027 (2015)


BindingDB Entry DOI: 10.7270/Q2833QTQ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057445
PNG
(CHEMBL3322802 | US9127027, 8 | US9422318, 8)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCCC(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H41N3O4S/c1-2-3-16-21-26-25(30)27-22-17-11-9-7-5-4-6-8-10-15-20-24(29)28-33(31,32)23-18-13-12-14-19-23/h5,7,12-14,18-19H,2-4,6,8-11,15-17,20-22H2,1H3,(H,28,29)(H2,26,27,30)/b7-5-
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n/an/a 41n/an/an/an/an/an/a



The Medical College of Wisconsin, Inc.; The Board of Regents of the University of Texas System

US Patent


Assay Description
Compounds were tested for their ability to inhibit recombinant soluble epoxide hydrolase (sEH) protein. The assay utilizes (3-Phhenyl-oxiranyl)-aceti...


US Patent US9422318 (2016)


BindingDB Entry DOI: 10.7270/Q2BV7FH3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057445
PNG
(CHEMBL3322802 | US9127027, 8 | US9422318, 8)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCCC(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H41N3O4S/c1-2-3-16-21-26-25(30)27-22-17-11-9-7-5-4-6-8-10-15-20-24(29)28-33(31,32)23-18-13-12-14-19-23/h5,7,12-14,18-19H,2-4,6,8-11,15-17,20-22H2,1H3,(H,28,29)(H2,26,27,30)/b7-5-
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n/an/a 41n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay


J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50295079
PNG
(13-(3-n-Pentylureido)tridec-8-ynoic acid | CHEMBL5...)
Show SMILES CCCCCNC(=O)NCCCCC#CCCCCCCC(O)=O
Show InChI InChI=1S/C19H34N2O3/c1-2-3-13-16-20-19(24)21-17-14-11-9-7-5-4-6-8-10-12-15-18(22)23/h2-4,6,8-17H2,1H3,(H,22,23)(H2,20,21,24)
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n/an/a 43n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus system assessed as appearance of 6-methoxynapthaldehyde product by...


J Med Chem 52: 5069-75 (2010)


Article DOI: 10.1021/jm900634w
BindingDB Entry DOI: 10.7270/Q28915W9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50295099
PNG
(13-(3-Pentyluredo)tridec-8(Z)-enoic acid | CHEMBL5...)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCCC(O)=O
Show InChI InChI=1S/C19H36N2O3/c1-2-3-13-16-20-19(24)21-17-14-11-9-7-5-4-6-8-10-12-15-18(22)23/h5,7H,2-4,6,8-17H2,1H3,(H,22,23)(H2,20,21,24)/b7-5-
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n/an/a 46n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus system assessed as appearance of 6-methoxynapthaldehyde product by...


J Med Chem 52: 5069-75 (2010)


Article DOI: 10.1021/jm900634w
BindingDB Entry DOI: 10.7270/Q28915W9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50295078
PNG
(13-(3-n-Pentylureido)tridec-8(E)-enoic acid | CHEM...)
Show SMILES CCCCCNC(=O)NCCCC\C=C\CCCCCCC(O)=O
Show InChI InChI=1S/C19H36N2O3/c1-2-3-13-16-20-19(24)21-17-14-11-9-7-5-4-6-8-10-12-15-18(22)23/h5,7H,2-4,6,8-17H2,1H3,(H,22,23)(H2,20,21,24)/b7-5+
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n/an/a 48.5n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus system assessed as appearance of 6-methoxynapthaldehyde product by...


J Med Chem 52: 5069-75 (2010)


Article DOI: 10.1021/jm900634w
BindingDB Entry DOI: 10.7270/Q28915W9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057635
PNG
(CHEMBL3322823 | US9127027, 24 | US9422318, 24)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCC1SC(=O)NC1=O
Show InChI InChI=1S/C20H35N3O3S/c1-2-3-12-15-21-19(25)22-16-13-10-8-6-4-5-7-9-11-14-17-18(24)23-20(26)27-17/h4,6,17H,2-3,5,7-16H2,1H3,(H2,21,22,25)(H,23,24,26)/b6-4-
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n/an/a 57n/an/an/an/an/an/a



The Medical College of Wisconsin, Inc.; The Board of Regents of the University of Texas System

US Patent


Assay Description
Compounds were tested for their ability to inhibit recombinant soluble epoxide hydrolase (sEH) protein. The assay utilizes (3-Phhenyl-oxiranyl)-aceti...


US Patent US9422318 (2016)


BindingDB Entry DOI: 10.7270/Q2BV7FH3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM179757
PNG
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCCS(O)(=O)=O
Show InChI InChI=1S/C18H36N2O4S.Na/c1-2-3-12-15-19-18(21)20-16-13-10-8-6-4-5-7-9-11-14-17-25(22,23)24;/h4,6H,2-3,5,7-17H2,1H3,(H2,19,20,21)(H,22,23,24);/q;+1/p-1/b6-4-;
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n/an/a 57n/an/an/an/an/an/a



The Medical College of Wisconsin, Inc.; The Board of Regents of the University of Texas System

US Patent


Assay Description
Compounds were tested for their ability to inhibit recombinant soluble epoxide hydrolase (sEH) protein. The assay utilizes (3-Phhenyl-oxiranyl)-aceti...


US Patent US9127027 (2015)


BindingDB Entry DOI: 10.7270/Q2833QTQ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057635
PNG
(CHEMBL3322823 | US9127027, 24 | US9422318, 24)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCC1SC(=O)NC1=O
Show InChI InChI=1S/C20H35N3O3S/c1-2-3-12-15-21-19(25)22-16-13-10-8-6-4-5-7-9-11-14-17-18(24)23-20(26)27-17/h4,6,17H,2-3,5,7-16H2,1H3,(H2,21,22,25)(H,23,24,26)/b6-4-
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n/an/a 57n/an/an/an/an/an/a



The Medical College of Wisconsin, Inc.; The Board of Regents of the University of Texas System

US Patent


Assay Description
Compounds were tested for their ability to inhibit recombinant soluble epoxide hydrolase (sEH) protein. The assay utilizes (3-Phhenyl-oxiranyl)-aceti...


US Patent US9127027 (2015)


BindingDB Entry DOI: 10.7270/Q2833QTQ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057461
PNG
(CHEMBL3322806)
Show SMILES [Na+].CCCCCNC(=O)NCCCC\C=C/CCCCCCS([O-])(=O)=O
Show InChI InChI=1S/C18H36N2O4S.Na/c1-2-3-12-15-19-18(21)20-16-13-10-8-6-4-5-7-9-11-14-17-25(22,23)24;/h4,6H,2-3,5,7-17H2,1H3,(H2,19,20,21)(H,22,23,24);/q;+1/p-1/b6-4-;
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n/an/a 57n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay


J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057635
PNG
(CHEMBL3322823 | US9127027, 24 | US9422318, 24)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCC1SC(=O)NC1=O
Show InChI InChI=1S/C20H35N3O3S/c1-2-3-12-15-21-19(25)22-16-13-10-8-6-4-5-7-9-11-14-17-18(24)23-20(26)27-17/h4,6,17H,2-3,5,7-16H2,1H3,(H2,21,22,25)(H,23,24,26)/b6-4-
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n/an/a 57n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay


J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM62387
PNG
(US9127027, 11)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCCS([O-])(=O)=O
Show InChI InChI=1S/C18H36N2O4S/c1-2-3-12-15-19-18(21)20-16-13-10-8-6-4-5-7-9-11-14-17-25(22,23)24/h4,6H,2-3,5,7-17H2,1H3,(H2,19,20,21)(H,22,23,24)/p-1/b6-4-
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n/an/a 57n/an/an/an/an/an/a



The Medical College of Wisconsin, Inc.; The Board of Regents of the University of Texas System

US Patent


Assay Description
Compounds were tested for their ability to inhibit recombinant soluble epoxide hydrolase (sEH) protein. The assay utilizes (3-Phhenyl-oxiranyl)-aceti...


US Patent US9422318 (2016)


BindingDB Entry DOI: 10.7270/Q2BV7FH3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057506
PNG
(CHEMBL3322817 | US9127027, 23 | US9422318, 23)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCCc1noc(=O)[nH]1
Show InChI InChI=1S/C20H36N4O3/c1-2-3-13-16-21-19(25)22-17-14-11-9-7-5-4-6-8-10-12-15-18-23-20(26)27-24-18/h5,7H,2-4,6,8-17H2,1H3,(H2,21,22,25)(H,23,24,26)/b7-5-
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n/an/a 65n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay


J Med Chem 57: 6965-72 (2014)


Article DOI: 10.1021/jm500262m
BindingDB Entry DOI: 10.7270/Q2W37XZ3
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057506
PNG
(CHEMBL3322817 | US9127027, 23 | US9422318, 23)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCCc1noc(=O)[nH]1
Show InChI InChI=1S/C20H36N4O3/c1-2-3-13-16-21-19(25)22-17-14-11-9-7-5-4-6-8-10-12-15-18-23-20(26)27-24-18/h5,7H,2-4,6,8-17H2,1H3,(H2,21,22,25)(H,23,24,26)/b7-5-
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n/an/a 65n/an/an/an/an/an/a



The Medical College of Wisconsin, Inc.; The Board of Regents of the University of Texas System

US Patent


Assay Description
Compounds were tested for their ability to inhibit recombinant soluble epoxide hydrolase (sEH) protein. The assay utilizes (3-Phhenyl-oxiranyl)-aceti...


US Patent US9127027 (2015)


BindingDB Entry DOI: 10.7270/Q2833QTQ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50057506
PNG
(CHEMBL3322817 | US9127027, 23 | US9422318, 23)
Show SMILES CCCCCNC(=O)NCCCC\C=C/CCCCCCc1noc(=O)[nH]1
Show InChI InChI=1S/C20H36N4O3/c1-2-3-13-16-21-19(25)22-17-14-11-9-7-5-4-6-8-10-12-15-18-23-20(26)27-24-18/h5,7H,2-4,6,8-17H2,1H3,(H2,21,22,25)(H,23,24,26)/b7-5-
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n/an/a 65n/an/an/an/an/an/a



The Medical College of Wisconsin, Inc.; The Board of Regents of the University of Texas System

US Patent


Assay Description
Compounds were tested for their ability to inhibit recombinant soluble epoxide hydrolase (sEH) protein. The assay utilizes (3-Phhenyl-oxiranyl)-aceti...


US Patent US9422318 (2016)


BindingDB Entry DOI: 10.7270/Q2BV7FH3
More data for this
Ligand-Target Pair
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