Found 113 hits with Last Name = 'webb' and Initial = 'hk' 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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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| n/a | n/a | 1.60 | 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)) | 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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| n/a | n/a | 1.60 | 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)) | 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)) | 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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| n/a | n/a | 2 | 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)) | 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 |
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)) | 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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| n/a | n/a | 2.90 | 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 | |
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)) | 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)) | 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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Article
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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)) | 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)) | 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)) | 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)) | 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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| n/a | n/a | 6 | 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)) | 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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| n/a | n/a | 6.40 | 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)) | BDBM50296209
(1-cyclohexyl-3-(4-fluoro-3-(3-morpholinopropoxy)ph...)Show InChI InChI=1S/C20H30FN3O3/c21-18-8-7-17(23-20(25)22-16-5-2-1-3-6-16)15-19(18)27-12-4-9-24-10-13-26-14-11-24/h7-8,15-16H,1-6,9-14H2,(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)) | BDBM50296216
(2-Adamantan-1-yl-N-[4-fluoro-3-(3-morpholin-4-yl-p...)Show SMILES Fc1ccc(NC(=O)CC23CC4CC(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/C25H35FN2O3/c26-22-3-2-21(13-23(22)31-7-1-4-28-5-8-30-9-6-28)27-24(29)17-25-14-18-10-19(15-25)12-20(11-18)16-25/h2-3,13,18-20H,1,4-12,14-17H2,(H,27,29) | PDB
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| n/a | n/a | 6.60 | 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)) | 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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| n/a | n/a | 6.70 | 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 | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | 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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| n/a | n/a | 8 | 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)) | BDBM50276674
(1-(3-(3-morpholinopropoxy)phenyl)-3-(4-(trifluorom...)Show SMILES FC(F)(F)Oc1ccc(NC(=O)Nc2cccc(OCCCN3CCOCC3)c2)cc1 Show InChI InChI=1S/C21H24F3N3O4/c22-21(23,24)31-18-7-5-16(6-8-18)25-20(28)26-17-3-1-4-19(15-17)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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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)) | BDBM50276674
(1-(3-(3-morpholinopropoxy)phenyl)-3-(4-(trifluorom...)Show SMILES FC(F)(F)Oc1ccc(NC(=O)Nc2cccc(OCCCN3CCOCC3)c2)cc1 Show InChI InChI=1S/C21H24F3N3O4/c22-21(23,24)31-18-7-5-16(6-8-18)25-20(28)26-17-3-1-4-19(15-17)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 | 8.20 | 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)) | BDBM50335971
(1-(1-acetylpiperidin-4-yl)-3-(3-(trifluoromethyl)p...)Show InChI InChI=1S/C15H18F3N3O2/c1-10(22)21-7-5-12(6-8-21)19-14(23)20-13-4-2-3-11(9-13)15(16,17)18/h2-4,9,12H,5-8H2,1H3,(H2,19,20,23) | PDB
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| n/a | n/a | 10 | 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)) | BDBM50296193
(1-(3,4-difluorophenyl)-3-(3-(3-morpholinopropoxy)p...)Show InChI InChI=1S/C20H23F2N3O3/c21-18-6-5-16(14-19(18)22)24-20(26)23-15-3-1-4-17(13-15)28-10-2-7-25-8-11-27-12-9-25/h1,3-6,13-14H,2,7-12H2,(H2,23,24,26) | PDB
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| n/a | n/a | 11 | 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)) | BDBM50335972
(1-(1-acetylpiperidin-4-yl)-3-(4-(trifluoromethyl)p...)Show InChI InChI=1S/C15H18F3N3O2/c1-10(22)21-8-6-13(7-9-21)20-14(23)19-12-4-2-11(3-5-12)15(16,17)18/h2-5,13H,6-9H2,1H3,(H2,19,20,23) | PDB
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| n/a | n/a | 11 | 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)) | BDBM50276086
(4-Adamantan-1-yl-N-[2-(4-benzyloxy-phenyl)-ethyl]-...)Show SMILES OC(CCC12CC3CC(CC(C3)C1)C2)C(=O)NCCc1ccc(OCc2ccccc2)cc1 |TLB:3:4:7.6.11:9,THB:3:4:7:11.10.9,5:6:9:13.4.12,5:4:7.6.11:9,12:4:7:11.10.9,12:10:7:13.5.4| Show InChI InChI=1S/C29H37NO3/c31-27(10-12-29-17-23-14-24(18-29)16-25(15-23)19-29)28(32)30-13-11-21-6-8-26(9-7-21)33-20-22-4-2-1-3-5-22/h1-9,23-25,27,31H,10-20H2,(H,30,32) | PDB
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| n/a | n/a | 11 | 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)) | BDBM25744
(3-(1-acetylpiperidin-4-yl)-1-[4-(trifluoromethoxy)...)Show InChI InChI=1S/C15H18F3N3O3/c1-10(22)21-8-6-12(7-9-21)20-14(23)19-11-2-4-13(5-3-11)24-15(16,17)18/h2-5,12H,6-9H2,1H3,(H2,19,20,23) | PDB
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| n/a | n/a | 12 | 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)) | 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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| n/a | n/a | 13 | 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 | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50335973
(1-(1-acetylpiperidin-4-yl)-3-(4-tert-butylcyclohex...)Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC1CCC(CC1)C(C)(C)C |(1.63,-5.6,;1.57,-7.14,;.21,-7.87,;2.88,-7.96,;4.25,-7.24,;5.55,-8.05,;5.49,-9.6,;4.14,-10.32,;2.83,-9.51,;6.8,-10.41,;6.75,-11.95,;5.39,-12.68,;8.07,-12.76,;8.05,-14.31,;6.71,-15.06,;6.69,-16.59,;8.02,-17.38,;9.36,-16.62,;9.38,-15.08,;8,-18.92,;6.66,-19.67,;9.32,-19.7,;7.98,-20.45,)| Show InChI InChI=1S/C18H33N3O2/c1-13(22)21-11-9-16(10-12-21)20-17(23)19-15-7-5-14(6-8-15)18(2,3)4/h14-16H,5-12H2,1-4H3,(H2,19,20,23) | PDB
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| n/a | n/a | 13 | 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)) | BDBM50296196
(1-(3-(3-morpholinopropoxy)phenyl)-3-(3-(trifluorom...)Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cccc(OCCCN3CCOCC3)c2)c1 Show InChI InChI=1S/C21H24F3N3O3/c22-21(23,24)16-4-1-5-17(14-16)25-20(28)26-18-6-2-7-19(15-18)30-11-3-8-27-9-12-29-13-10-27/h1-2,4-7,14-15H,3,8-13H2,(H2,25,26,28) | PDB
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| n/a | n/a | 13.8 | 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)) | BDBM50335974
(1-(1-Acetyl-piperidin-4-yl)-3-bicyclo[2.2.1]hept-7...)Show InChI InChI=1S/C15H25N3O2/c1-10(19)18-8-6-13(7-9-18)16-15(20)17-14-11-2-3-12(14)5-4-11/h11-14H,2-9H2,1H3,(H2,16,17,20) | 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)) | BDBM50296192
(1-(4-fluorophenyl)-3-(3-(3-morpholinopropoxy)pheny...)Show InChI InChI=1S/C20H24FN3O3/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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| n/a | n/a | 14 | 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)) | BDBM50276225
(1-(2-Adamantan-1-yl-ethyl)-3-[2-(4-benzyloxy-pheny...)Show SMILES O=C(NCCc1ccc(OCc2ccccc2)cc1)NCCC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25.24.29:27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22,21:22:25:29.28.27| Show InChI InChI=1S/C28H36N2O2/c31-27(30-13-11-28-17-23-14-24(18-28)16-25(15-23)19-28)29-12-10-21-6-8-26(9-7-21)32-20-22-4-2-1-3-5-22/h1-9,23-25H,10-20H2,(H2,29,30,31) | 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)) | BDBM50276729
(1-Adamantan-1-yl-3-[3-(3-morpholin-4-yl-propoxy)-p...)Show SMILES S=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/C24H35N3O2S/c30-23(26-24-15-18-11-19(16-24)13-20(12-18)17-24)25-21-3-1-4-22(14-21)29-8-2-5-27-6-9-28-10-7-27/h1,3-4,14,18-20H,2,5-13,15-17H2,(H2,25,26,30) | PDB
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| n/a | n/a | 22 | 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)) | BDBM50276801
(3-Adamantan-1-yl-2-hydroxy-N-[3-(3-morpholin-4-yl-...)Show SMILES OC(CC12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(OCCCN2CCOCC2)c1 |TLB:2:3:6:10.9.8,THB:4:3:6.5.10:8,4:5:8:3.12.11,11:3:6:10.9.8,11:9:6:3.12.4| Show InChI InChI=1S/C26H38N2O4/c29-24(18-26-15-19-11-20(16-26)13-21(12-19)17-26)25(30)27-22-3-1-4-23(14-22)32-8-2-5-28-6-9-31-10-7-28/h1,3-4,14,19-21,24,29H,2,5-13,15-18H2,(H,27,30) | PDB
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| n/a | n/a | 23 | 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 | |
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