Found 449 hits with Last Name = 'anandan' and Initial = 'sk' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50276625
(1-Adamantan-1-yl-3-[3-(3-morpholin-4-yl-propoxy)-p...)Show SMILES O=C(Nc1cccc(OCCCN2CCOCC2)c1)NC12CC3CC(CC(C3)C1)C2 |TLB:19:20:23:27.26.25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20| Show InChI InChI=1S/C24H35N3O3/c28-23(26-24-15-18-11-19(16-24)13-20(12-18)17-24)25-21-3-1-4-22(14-21)30-8-2-5-27-6-9-29-10-7-27/h1,3-4,14,18-20H,2,5-13,15-17H2,(H2,25,26,28) | PDB
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| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Arête Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of soluble epoxide hydrolase (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 19: 1066-70 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.013
BindingDB Entry DOI: 10.7270/Q2C24WBG |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50276625
(1-Adamantan-1-yl-3-[3-(3-morpholin-4-yl-propoxy)-p...)Show SMILES O=C(Nc1cccc(OCCCN2CCOCC2)c1)NC12CC3CC(CC(C3)C1)C2 |TLB:19:20:23:27.26.25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20| Show InChI InChI=1S/C24H35N3O3/c28-23(26-24-15-18-11-19(16-24)13-20(12-18)17-24)25-21-3-1-4-22(14-21)30-8-2-5-27-6-9-29-10-7-27/h1,3-4,14,18-20H,2,5-13,15-17H2,(H2,25,26,28) | PDB
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| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Arete Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent endpoint assay |
Bioorg Med Chem Lett 19: 4259-63 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.102
BindingDB Entry DOI: 10.7270/Q2VQ32Q0 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50296210
(1-Adamantan-1-yl-3-[4-fluoro-3-(3-morpholin-4-yl-p...)Show SMILES Fc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1OCCCN1CCOCC1 |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9| Show InChI InChI=1S/C24H34FN3O3/c25-21-3-2-20(13-22(21)31-7-1-4-28-5-8-30-9-6-28)26-23(29)27-24-14-17-10-18(15-24)12-19(11-17)16-24/h2-3,13,17-19H,1,4-12,14-16H2,(H2,26,27,29) | PDB
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| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Arete Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent endpoint assay |
Bioorg Med Chem Lett 19: 4259-63 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.102
BindingDB Entry DOI: 10.7270/Q2VQ32Q0 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM25743
(1-cycloheptyl-3-(1-acetylpiperidin-4-yl)urea | US8...)Show InChI InChI=1S/C15H27N3O2/c1-12(19)18-10-8-14(9-11-18)17-15(20)16-13-6-4-2-3-5-7-13/h13-14H,2-11H2,1H3,(H2,16,17,20) | PDB
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| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Ar£te Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human soluble epoxide hydrolase |
Bioorg Med Chem Lett 21: 983-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50296223
(1-(4-(3-morpholinopropoxy)phenyl)-3-(4-(trifluorom...)Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(OCCCN3CCOCC3)cc2)cc1 Show InChI InChI=1S/C21H24F3N3O3/c22-21(23,24)16-2-4-17(5-3-16)25-20(28)26-18-6-8-19(9-7-18)30-13-1-10-27-11-14-29-15-12-27/h2-9H,1,10-15H2,(H2,25,26,28) | PDB
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| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Arete Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent endpoint assay |
Bioorg Med Chem Lett 19: 4259-63 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.102
BindingDB Entry DOI: 10.7270/Q2VQ32Q0 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50296224
(1-(4-(3-morpholinopropoxy)phenyl)-3-(4-(trifluorom...)Show SMILES FC(F)(F)Oc1ccc(NC(=O)Nc2ccc(OCCCN3CCOCC3)cc2)cc1 Show InChI InChI=1S/C21H24F3N3O4/c22-21(23,24)31-19-8-4-17(5-9-19)26-20(28)25-16-2-6-18(7-3-16)30-13-1-10-27-11-14-29-15-12-27/h2-9H,1,10-15H2,(H2,25,26,28) | PDB
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| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Arete Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent endpoint assay |
Bioorg Med Chem Lett 19: 4259-63 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.102
BindingDB Entry DOI: 10.7270/Q2VQ32Q0 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50296214
(1-(4-fluoro-3-(3-morpholinopropoxy)phenyl)-3-(4-(t...)Show SMILES Fc1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1OCCCN1CCOCC1 Show InChI InChI=1S/C21H23F4N3O4/c22-18-7-4-16(14-19(18)31-11-1-8-28-9-12-30-13-10-28)27-20(29)26-15-2-5-17(6-3-15)32-21(23,24)25/h2-7,14H,1,8-13H2,(H2,26,27,29) | PDB
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| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Arete Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent endpoint assay |
Bioorg Med Chem Lett 19: 4259-63 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.102
BindingDB Entry DOI: 10.7270/Q2VQ32Q0 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50317290
(CHEMBL1086820 | N-(2-morpholinoethyl)-4-(3-(4-(tri...)Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN2CCOCC2)cc1 Show InChI InChI=1S/C21H23F3N4O3/c22-21(23,24)16-3-7-18(8-4-16)27-20(30)26-17-5-1-15(2-6-17)19(29)25-9-10-28-11-13-31-14-12-28/h1-8H,9-14H2,(H,25,29)(H2,26,27,30) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Ar£te Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay |
Bioorg Med Chem Lett 20: 2740-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50317308
(1-(4-(morpholinosulfonyl)phenyl)-3-(4-(trifluorome...)Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)cc1 Show InChI InChI=1S/C18H18F3N3O4S/c19-18(20,21)13-1-3-14(4-2-13)22-17(25)23-15-5-7-16(8-6-15)29(26,27)24-9-11-28-12-10-24/h1-8H,9-12H2,(H2,22,23,25) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Ar£te Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay |
Bioorg Med Chem Lett 20: 2740-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50317310
(1-(4-(3-morpholinopropylsulfonyl)phenyl)-3-(4-(tri...)Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)CCCN2CCOCC2)cc1 Show InChI InChI=1S/C21H24F3N3O4S/c22-21(23,24)16-2-4-17(5-3-16)25-20(28)26-18-6-8-19(9-7-18)32(29,30)15-1-10-27-11-13-31-14-12-27/h2-9H,1,10-15H2,(H2,25,26,28) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Ar£te Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay |
Bioorg Med Chem Lett 20: 2740-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50317312
(CHEMBL1099390 | N-(2-morpholinoethyl)-3-(3-(4-(tri...)Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2cccc(c2)S(=O)(=O)NCCN2CCOCC2)cc1 Show InChI InChI=1S/C20H23F3N4O4S/c21-20(22,23)15-4-6-16(7-5-15)25-19(28)26-17-2-1-3-18(14-17)32(29,30)24-8-9-27-10-12-31-13-11-27/h1-7,14,24H,8-13H2,(H2,25,26,28) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Ar£te Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay |
Bioorg Med Chem Lett 20: 2740-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50317313
(1-(3-(morpholinosulfonyl)phenyl)-3-(4-(trifluorome...)Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2cccc(c2)S(=O)(=O)N2CCOCC2)cc1 Show InChI InChI=1S/C18H18F3N3O4S/c19-18(20,21)13-4-6-14(7-5-13)22-17(25)23-15-2-1-3-16(12-15)29(26,27)24-8-10-28-11-9-24/h1-7,12H,8-11H2,(H2,22,23,25) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Ar£te Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay |
Bioorg Med Chem Lett 20: 2740-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50276673
(1-(3-(3-morpholinopropoxy)phenyl)-3-(4-(trifluorom...)Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2cccc(OCCCN3CCOCC3)c2)cc1 Show InChI InChI=1S/C21H24F3N3O3/c22-21(23,24)16-5-7-17(8-6-16)25-20(28)26-18-3-1-4-19(15-18)30-12-2-9-27-10-13-29-14-11-27/h1,3-8,15H,2,9-14H2,(H2,25,26,28) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Arete Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent endpoint assay |
Bioorg Med Chem Lett 19: 4259-63 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.102
BindingDB Entry DOI: 10.7270/Q2VQ32Q0 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50317315
(1-(3-(3-morpholinopropylsulfonyl)phenyl)-3-(4-(tri...)Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2cccc(c2)S(=O)(=O)CCCN2CCOCC2)cc1 Show InChI InChI=1S/C21H24F3N3O4S/c22-21(23,24)16-5-7-17(8-6-16)25-20(28)26-18-3-1-4-19(15-18)32(29,30)14-2-9-27-10-12-31-13-11-27/h1,3-8,15H,2,9-14H2,(H2,25,26,28) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Ar£te Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay |
Bioorg Med Chem Lett 20: 2740-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50276673
(1-(3-(3-morpholinopropoxy)phenyl)-3-(4-(trifluorom...)Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2cccc(OCCCN3CCOCC3)c2)cc1 Show InChI InChI=1S/C21H24F3N3O3/c22-21(23,24)16-5-7-17(8-6-16)25-20(28)26-18-3-1-4-19(15-18)30-12-2-9-27-10-13-29-14-11-27/h1,3-8,15H,2,9-14H2,(H2,25,26,28) | PDB
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| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Arête Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of soluble epoxide hydrolase (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 19: 1066-70 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.013
BindingDB Entry DOI: 10.7270/Q2C24WBG |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50223389
(1-Adamantan-1-yl-3-[4-(3-morpholin-4-yl-propoxy)-p...)Show SMILES O=C(Nc1ccc(OCCCN2CCOCC2)cc1)NC12CC3CC(CC(C3)C1)C2 |TLB:19:20:23.22.27:25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20,19:20:23:27.26.25| Show InChI InChI=1S/C24H35N3O3/c28-23(26-24-15-18-12-19(16-24)14-20(13-18)17-24)25-21-2-4-22(5-3-21)30-9-1-6-27-7-10-29-11-8-27/h2-5,18-20H,1,6-17H2,(H2,25,26,28) | PDB
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Arete Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent endpoint assay |
Bioorg Med Chem Lett 19: 4259-63 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.102
BindingDB Entry DOI: 10.7270/Q2VQ32Q0 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50296213
(1-(4-fluoro-3-(3-morpholinopropoxy)phenyl)-3-(4-(t...)Show SMILES Fc1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1OCCCN1CCOCC1 Show InChI InChI=1S/C21H23F4N3O3/c22-18-7-6-17(14-19(18)31-11-1-8-28-9-12-30-13-10-28)27-20(29)26-16-4-2-15(3-5-16)21(23,24)25/h2-7,14H,1,8-13H2,(H2,26,27,29) | PDB
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Arete Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent endpoint assay |
Bioorg Med Chem Lett 19: 4259-63 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.102
BindingDB Entry DOI: 10.7270/Q2VQ32Q0 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50296226
(2-Adamantan-1-yl-N-[4-(3-morpholin-4-yl-propoxy)-p...)Show SMILES O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(OCCCN2CCOCC2)cc1 |TLB:2:3:6:10.9.8,THB:4:5:8:12.3.11,4:3:6.5.10:8,11:3:6:10.9.8,11:9:6:12.4.3| Show InChI InChI=1S/C25H36N2O3/c28-24(18-25-15-19-12-20(16-25)14-21(13-19)17-25)26-22-2-4-23(5-3-22)30-9-1-6-27-7-10-29-11-8-27/h2-5,19-21H,1,6-18H2,(H,26,28) | PDB
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Arete Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent endpoint assay |
Bioorg Med Chem Lett 19: 4259-63 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.102
BindingDB Entry DOI: 10.7270/Q2VQ32Q0 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50296225
(1-(4-chlorophenyl)-3-(4-(3-morpholinopropoxy)pheny...)Show InChI InChI=1S/C20H24ClN3O3/c21-16-2-4-17(5-3-16)22-20(25)23-18-6-8-19(9-7-18)27-13-1-10-24-11-14-26-15-12-24/h2-9H,1,10-15H2,(H2,22,23,25) | PDB
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| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Arete Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent endpoint assay |
Bioorg Med Chem Lett 19: 4259-63 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.102
BindingDB Entry DOI: 10.7270/Q2VQ32Q0 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50335965
(1-(1-(isopropylsulfonyl)piperidin-4-yl)-3-(4-(trif...)Show SMILES CC(C)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C16H22F3N3O4S/c1-11(2)27(24,25)22-9-7-13(8-10-22)21-15(23)20-12-3-5-14(6-4-12)26-16(17,18)19/h3-6,11,13H,7-10H2,1-2H3,(H2,20,21,23) | PDB
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Ar£te Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human soluble epoxide hydrolase |
Bioorg Med Chem Lett 21: 983-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50335964
(1-(1-nicotinoylpiperidin-4-yl)-3-(4-(trifluorometh...)Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)c2cccnc2)cc1 Show InChI InChI=1S/C19H19F3N4O3/c20-19(21,22)29-16-5-3-14(4-6-16)24-18(28)25-15-7-10-26(11-8-15)17(27)13-2-1-9-23-12-13/h1-6,9,12,15H,7-8,10-11H2,(H2,24,25,28) | PDB
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Ar£te Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human soluble epoxide hydrolase |
Bioorg Med Chem Lett 21: 983-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50335966
(1-Adamantan-1-yl-3-(1-methanesulfonyl-piperidin-4-...)Show SMILES CS(=O)(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:17:18:16.21.15:22,THB:19:18:15:21.20.22,19:20:17.18.23:15,17:16:18.19.23:22| Show InChI InChI=1S/C17H29N3O3S/c1-24(22,23)20-4-2-15(3-5-20)18-16(21)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,2-11H2,1H3,(H2,18,19,21) | PDB
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| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Ar£te Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human soluble epoxide hydrolase |
Bioorg Med Chem Lett 21: 983-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50317291
(CHEMBL1086821 | N-(2-morpholinoethyl)-4-(3-(4-(tri...)Show SMILES FC(F)(F)Oc1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN2CCOCC2)cc1 Show InChI InChI=1S/C21H23F3N4O4/c22-21(23,24)32-18-7-5-17(6-8-18)27-20(30)26-16-3-1-15(2-4-16)19(29)25-9-10-28-11-13-31-14-12-28/h1-8H,9-14H2,(H,25,29)(H2,26,27,30) | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Ar£te Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay |
Bioorg Med Chem Lett 20: 2740-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50317303
(2-fluoro-N-(2-morpholinoethyl)-4-(3-(4-(trifluorom...)Show SMILES Fc1cc(NC(=O)Nc2ccc(cc2)C(F)(F)F)ccc1C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C21H22F4N4O3/c22-18-13-16(28-20(31)27-15-3-1-14(2-4-15)21(23,24)25)5-6-17(18)19(30)26-7-8-29-9-11-32-12-10-29/h1-6,13H,7-12H2,(H,26,30)(H2,27,28,31) | PDB
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Ar£te Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay |
Bioorg Med Chem Lett 20: 2740-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50317305
(1-(3-fluoro-4-(morpholine-4-carbonyl)phenyl)-3-(4-...)Show SMILES Fc1cc(NC(=O)Nc2ccc(cc2)C(F)(F)F)ccc1C(=O)N1CCOCC1 Show InChI InChI=1S/C19H17F4N3O3/c20-16-11-14(5-6-15(16)17(27)26-7-9-29-10-8-26)25-18(28)24-13-3-1-12(2-4-13)19(21,22)23/h1-6,11H,7-10H2,(H2,24,25,28) | PDB
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Ar£te Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay |
Bioorg Med Chem Lett 20: 2740-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50296197
(1-(4-chlorophenyl)-3-(3-(3-morpholinopropoxy)pheny...)Show InChI InChI=1S/C20H24ClN3O3/c21-16-5-7-17(8-6-16)22-20(25)23-18-3-1-4-19(15-18)27-12-2-9-24-10-13-26-14-11-24/h1,3-8,15H,2,9-14H2,(H2,22,23,25) | PDB
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Arete Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent endpoint assay |
Bioorg Med Chem Lett 19: 4259-63 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.102
BindingDB Entry DOI: 10.7270/Q2VQ32Q0 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50317282
(1-(4-(4-isopropylpiperazine-1-carbonyl)phenyl)-3-(...)Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C22H25F3N4O2/c1-15(2)28-11-13-29(14-12-28)20(30)16-3-7-18(8-4-16)26-21(31)27-19-9-5-17(6-10-19)22(23,24)25/h3-10,15H,11-14H2,1-2H3,(H2,26,27,31) | PDB
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Ar£te Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay |
Bioorg Med Chem Lett 20: 2740-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50276676
(2-Adamantan-1-yl-N-[3-(3-morpholin-4-yl-propoxy)-p...)Show SMILES O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc(OCCCN2CCOCC2)c1 |TLB:2:3:6:10.9.8,THB:4:5:8:12.3.11,4:3:6.5.10:8,11:3:6:10.9.8,11:9:6:12.4.3| Show InChI InChI=1S/C25H36N2O3/c28-24(18-25-15-19-11-20(16-25)13-21(12-19)17-25)26-22-3-1-4-23(14-22)30-8-2-5-27-6-9-29-10-7-27/h1,3-4,14,19-21H,2,5-13,15-18H2,(H,26,28) | PDB
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Arête Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of soluble epoxide hydrolase (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 19: 1066-70 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.013
BindingDB Entry DOI: 10.7270/Q2C24WBG |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50276676
(2-Adamantan-1-yl-N-[3-(3-morpholin-4-yl-propoxy)-p...)Show SMILES O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc(OCCCN2CCOCC2)c1 |TLB:2:3:6:10.9.8,THB:4:5:8:12.3.11,4:3:6.5.10:8,11:3:6:10.9.8,11:9:6:12.4.3| Show InChI InChI=1S/C25H36N2O3/c28-24(18-25-15-19-11-20(16-25)13-21(12-19)17-25)26-22-3-1-4-23(14-22)30-8-2-5-27-6-9-29-10-7-27/h1,3-4,14,19-21H,2,5-13,15-18H2,(H,26,28) | PDB
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| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Arete Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent endpoint assay |
Bioorg Med Chem Lett 19: 4259-63 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.102
BindingDB Entry DOI: 10.7270/Q2VQ32Q0 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50296219
(1-Adamantan-1-yl-3-[3-(3-morpholin-4-yl-propoxy)-c...)Show SMILES O=C(NC1CCCC(C1)OCCCN1CCOCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:19:20:23:27.26.25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20| Show InChI InChI=1S/C24H41N3O3/c28-23(26-24-15-18-11-19(16-24)13-20(12-18)17-24)25-21-3-1-4-22(14-21)30-8-2-5-27-6-9-29-10-7-27/h18-22H,1-17H2,(H2,25,26,28) | PDB
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| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Arete Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent endpoint assay |
Bioorg Med Chem Lett 19: 4259-63 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.102
BindingDB Entry DOI: 10.7270/Q2VQ32Q0 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50335967
(1-(1-(isopropylsulfonyl)piperidin-4-yl)-3-(4-(trif...)Show SMILES CC(C)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C16H22F3N3O3S/c1-11(2)26(24,25)22-9-7-14(8-10-22)21-15(23)20-13-5-3-12(4-6-13)16(17,18)19/h3-6,11,14H,7-10H2,1-2H3,(H2,20,21,23) | PDB
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Ar£te Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human soluble epoxide hydrolase |
Bioorg Med Chem Lett 21: 983-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50317299
(CHEMBL1087492 | N-(2-morpholino-2-oxoethyl)-4-(3-(...)Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCC(=O)N2CCOCC2)cc1 Show InChI InChI=1S/C21H21F3N4O4/c22-21(23,24)15-3-7-17(8-4-15)27-20(31)26-16-5-1-14(2-6-16)19(30)25-13-18(29)28-9-11-32-12-10-28/h1-8H,9-13H2,(H,25,30)(H2,26,27,31) | PDB
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Ar£te Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay |
Bioorg Med Chem Lett 20: 2740-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50317307
(CHEMBL1088351 | N-(2-morpholinoethyl)-4-(3-(4-(tri...)Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)NCCN2CCOCC2)cc1 Show InChI InChI=1S/C20H23F3N4O4S/c21-20(22,23)15-1-3-16(4-2-15)25-19(28)26-17-5-7-18(8-6-17)32(29,30)24-9-10-27-11-13-31-14-12-27/h1-8,24H,9-14H2,(H2,25,26,28) | PDB
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Ar£te Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay |
Bioorg Med Chem Lett 20: 2740-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50317311
(1-(3-(4-isopropylpiperazin-1-ylsulfonyl)phenyl)-3-...)Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)c1cccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C21H25F3N4O3S/c1-15(2)27-10-12-28(13-11-27)32(30,31)19-5-3-4-18(14-19)26-20(29)25-17-8-6-16(7-9-17)21(22,23)24/h3-9,14-15H,10-13H2,1-2H3,(H2,25,26,29) | PDB
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Ar£te Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay |
Bioorg Med Chem Lett 20: 2740-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Mus musculus (Mouse)) | BDBM50191854
(CHEMBL436774 | N-(1-acetyl-piperidin-4-yl)-N'-(ada...)Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:12:13:16.15.20:18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13,12:13:16:20.19.18| Show InChI InChI=1S/C18H29N3O2/c1-12(22)21-4-2-16(3-5-21)19-17(23)20-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,2-11H2,1H3,(H2,19,20,23) | PDB
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Ar£te Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse soluble epoxide hydrolase |
Bioorg Med Chem Lett 21: 983-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50317286
(4-{[(adamantan-1-yl)carbamoyl]amino}-N-[2-(morphol...)Show SMILES O=C(Nc1ccc(cc1)C(=O)NCCN1CCOCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:24:25:23.22.28:29,THB:24:23:25.30.26:29,26:25:22:28.27.29,26:27:24.25.30:22| Show InChI InChI=1S/C24H34N4O3/c29-22(25-5-6-28-7-9-31-10-8-28)20-1-3-21(4-2-20)26-23(30)27-24-14-17-11-18(15-24)13-19(12-17)16-24/h1-4,17-19H,5-16H2,(H,25,29)(H2,26,27,30) | PDB
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Ar£te Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay |
Bioorg Med Chem Lett 20: 2740-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50335968
(1-(1-(methylsulfonyl)piperidin-4-yl)-3-(4-(trifluo...)Show SMILES CS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C14H18F3N3O3S/c1-24(22,23)20-8-6-12(7-9-20)19-13(21)18-11-4-2-10(3-5-11)14(15,16)17/h2-5,12H,6-9H2,1H3,(H2,18,19,21) | PDB
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| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Ar£te Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human soluble epoxide hydrolase |
Bioorg Med Chem Lett 21: 983-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50276626
(1-cyclohexyl-3-(3-(3-morpholinopropoxy)phenyl)urea...)Show InChI InChI=1S/C20H31N3O3/c24-20(21-17-6-2-1-3-7-17)22-18-8-4-9-19(16-18)26-13-5-10-23-11-14-25-15-12-23/h4,8-9,16-17H,1-3,5-7,10-15H2,(H2,21,22,24) | PDB
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| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Arête Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of soluble epoxide hydrolase (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 19: 1066-70 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.013
BindingDB Entry DOI: 10.7270/Q2C24WBG |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50276626
(1-cyclohexyl-3-(3-(3-morpholinopropoxy)phenyl)urea...)Show InChI InChI=1S/C20H31N3O3/c24-20(21-17-6-2-1-3-7-17)22-18-8-4-9-19(16-18)26-13-5-10-23-11-14-25-15-12-23/h4,8-9,16-17H,1-3,5-7,10-15H2,(H2,21,22,24) | PDB
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| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Arete Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent endpoint assay |
Bioorg Med Chem Lett 19: 4259-63 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.102
BindingDB Entry DOI: 10.7270/Q2VQ32Q0 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50335966
(1-Adamantan-1-yl-3-(1-methanesulfonyl-piperidin-4-...)Show SMILES CS(=O)(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:17:18:16.21.15:22,THB:19:18:15:21.20.22,19:20:17.18.23:15,17:16:18.19.23:22| Show InChI InChI=1S/C17H29N3O3S/c1-24(22,23)20-4-2-15(3-5-20)18-16(21)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,2-11H2,1H3,(H2,18,19,21) | PDB
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| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Ar£te Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of soluble epoxide hydrolase in HUVEC assessed inhibition of as conversion of 14, 15-EET to 14, 15-DHET |
Bioorg Med Chem Lett 21: 983-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50317298
(1-(4-(morpholine-4-carbonyl)phenyl)-3-(4-(trifluor...)Show SMILES FC(F)(F)Oc1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCOCC2)cc1 Show InChI InChI=1S/C19H18F3N3O4/c20-19(21,22)29-16-7-5-15(6-8-16)24-18(27)23-14-3-1-13(2-4-14)17(26)25-9-11-28-12-10-25/h1-8H,9-12H2,(H2,23,24,27) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ar£te Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay |
Bioorg Med Chem Lett 20: 2740-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50317283
(1-(4-(4-isopropylpiperazine-1-carbonyl)phenyl)-3-(...)Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C22H25F3N4O3/c1-15(2)28-11-13-29(14-12-28)20(30)16-3-5-17(6-4-16)26-21(31)27-18-7-9-19(10-8-18)32-22(23,24)25/h3-10,15H,11-14H2,1-2H3,(H2,26,27,31) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ar£te Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay |
Bioorg Med Chem Lett 20: 2740-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50317301
(1-(3-fluoro-4-(4-methylpiperazine-1-carbonyl)pheny...)Show SMILES CN1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1F Show InChI InChI=1S/C20H20F4N4O2/c1-27-8-10-28(11-9-27)18(29)16-7-6-15(12-17(16)21)26-19(30)25-14-4-2-13(3-5-14)20(22,23)24/h2-7,12H,8-11H2,1H3,(H2,25,26,30) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ar£te Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay |
Bioorg Med Chem Lett 20: 2740-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50296215
(1-(4-chlorophenyl)-3-(4-fluoro-3-(3-morpholinoprop...)Show InChI InChI=1S/C20H23ClFN3O3/c21-15-2-4-16(5-3-15)23-20(26)24-17-6-7-18(22)19(14-17)28-11-1-8-25-9-12-27-13-10-25/h2-7,14H,1,8-13H2,(H2,23,24,26) | PDB
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| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Arete Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent endpoint assay |
Bioorg Med Chem Lett 19: 4259-63 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.102
BindingDB Entry DOI: 10.7270/Q2VQ32Q0 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50317297
(1-(4-(morpholine-4-carbonyl)phenyl)-3-(4-(trifluor...)Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCOCC2)cc1 Show InChI InChI=1S/C19H18F3N3O3/c20-19(21,22)14-3-7-16(8-4-14)24-18(27)23-15-5-1-13(2-6-15)17(26)25-9-11-28-12-10-25/h1-8H,9-12H2,(H2,23,24,27) | PDB
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Ar£te Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay |
Bioorg Med Chem Lett 20: 2740-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50317306
(1-(4-(4-isopropylpiperazin-1-ylsulfonyl)phenyl)-3-...)Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C21H25F3N4O3S/c1-15(2)27-11-13-28(14-12-27)32(30,31)19-9-7-18(8-10-19)26-20(29)25-17-5-3-16(4-6-17)21(22,23)24/h3-10,15H,11-14H2,1-2H3,(H2,25,26,29) | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Ar£te Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of soluble epoxide hydrolase by fluorescence assay |
Bioorg Med Chem Lett 20: 2740-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.074
BindingDB Entry DOI: 10.7270/Q28K798X |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50296220
(2-Adamantan-1-yl-N-[3-(3-morpholin-4-yl-propoxy)-c...)Show SMILES O=C(CC12CC3CC(CC(C3)C1)C2)NC1CCCC(C1)OCCCN1CCOCC1 |TLB:2:3:6:10.9.8,THB:4:5:8:12.3.11,4:3:6.5.10:8,11:3:6:10.9.8,11:9:6:12.4.3| Show InChI InChI=1S/C25H42N2O3/c28-24(18-25-15-19-11-20(16-25)13-21(12-19)17-25)26-22-3-1-4-23(14-22)30-8-2-5-27-6-9-29-10-7-27/h19-23H,1-18H2,(H,26,28) | PDB
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| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Arete Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent endpoint assay |
Bioorg Med Chem Lett 19: 4259-63 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.102
BindingDB Entry DOI: 10.7270/Q2VQ32Q0 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50296221
(1-cyclohexyl-3-(4-(3-morpholinopropoxy)phenyl)urea...)Show InChI InChI=1S/C20H31N3O3/c24-20(21-17-5-2-1-3-6-17)22-18-7-9-19(10-8-18)26-14-4-11-23-12-15-25-16-13-23/h7-10,17H,1-6,11-16H2,(H2,21,22,24) | PDB
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| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Arete Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent endpoint assay |
Bioorg Med Chem Lett 19: 4259-63 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.102
BindingDB Entry DOI: 10.7270/Q2VQ32Q0 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50335969
(1-(1-acetylpiperidin-4-yl)-3-(4,4-dimethylcyclohex...)Show InChI InChI=1S/C16H29N3O2/c1-12(20)19-10-6-14(7-11-19)18-15(21)17-13-4-8-16(2,3)9-5-13/h13-14H,4-11H2,1-3H3,(H2,17,18,21) | PDB
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Ar£te Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human soluble epoxide hydrolase |
Bioorg Med Chem Lett 21: 983-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50335970
(1-cyclohexyl-3-(1-picolinoylpiperidin-4-yl)urea | ...)Show InChI InChI=1S/C18H26N4O2/c23-17(16-8-4-5-11-19-16)22-12-9-15(10-13-22)21-18(24)20-14-6-2-1-3-7-14/h4-5,8,11,14-15H,1-3,6-7,9-10,12-13H2,(H2,20,21,24) | PDB
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Ar£te Therapeutics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human soluble epoxide hydrolase |
Bioorg Med Chem Lett 21: 983-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB |
More data for this
Ligand-Target Pair | |
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