Found 29 hits of Enzyme Inhibition Constant Data 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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PC cid
PC sid
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| Article
PubMed
| 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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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| n/a | n/a | 15 | 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)) | 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 | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50276725
(2-cyclohexyl-N-(3-(3-morpholinopropoxy)phenyl)acet...)Show InChI InChI=1S/C21H32N2O3/c24-21(16-18-6-2-1-3-7-18)22-19-8-4-9-20(17-19)26-13-5-10-23-11-14-25-15-12-23/h4,8-9,17-18H,1-3,5-7,10-16H2,(H,22,24) | PDB
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| n/a | n/a | 28 | 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)) | BDBM50276888
(4-Adamantan-1-yl-N-[3-(3-morpholin-4-yl-propoxy)-p...)Show SMILES O=C(CCC12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(OCCCN2CCOCC2)c1 |TLB:7:8:6.5.11:12,THB:7:6:8.13.9:12,9:8:5:11.10.12,9:10:7.8.13:5| Show InChI InChI=1S/C27H38N2O4/c30-25(5-6-27-17-20-13-21(18-27)15-22(14-20)19-27)26(31)28-23-3-1-4-24(16-23)33-10-2-7-29-8-11-32-12-9-29/h1,3-4,16,20-22H,2,5-15,17-19H2,(H,28,31) | PDB
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| n/a | n/a | 48 | 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)) | BDBM50276887
(3-Adamantan-1-yl-N-[3-(3-morpholin-4-yl-propoxy)-p...)Show SMILES O=C(CC12CC3CC(CC(C3)C1)C2)C(=O)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/C26H36N2O4/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/h1,3-4,14,19-21H,2,5-13,15-18H2,(H,27,30) | PDB
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| n/a | n/a | 49 | 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)) | BDBM50276727
(CHEMBL459778 | N-(3-(3-morpholinopropoxy)phenyl)-2...)Show SMILES FC(F)(F)c1ccc(CC(=O)Nc2cccc(OCCCN3CCOCC3)c2)cc1 Show InChI InChI=1S/C22H25F3N2O3/c23-22(24,25)18-7-5-17(6-8-18)15-21(28)26-19-3-1-4-20(16-19)30-12-2-9-27-10-13-29-14-11-27/h1,3-8,16H,2,9-15H2,(H,26,28) | PDB
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| n/a | n/a | 55 | 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)) | BDBM50276675
(Adamantane-1-carboxylic acid [3-(3-morpholin-4-yl-...)Show SMILES O=C(Nc1cccc(OCCCN2CCOCC2)c1)C12CC3CC(CC(C3)C1)C2 |TLB:1:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,1:19:22:26.25.24| Show InChI InChI=1S/C24H34N2O3/c27-23(24-15-18-11-19(16-24)13-20(12-18)17-24)25-21-3-1-4-22(14-21)29-8-2-5-26-6-9-28-10-7-26/h1,3-4,14,18-20H,2,5-13,15-17H2,(H,25,27) | PDB
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| n/a | n/a | 88 | 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)) | BDBM50276726
(CHEMBL461894 | N-(3-(3-morpholinopropoxy)phenyl)-4...)Show SMILES FC(F)(F)c1ccc(cc1)C(=O)Nc1cccc(OCCCN2CCOCC2)c1 Show InChI InChI=1S/C21H23F3N2O3/c22-21(23,24)17-7-5-16(6-8-17)20(27)25-18-3-1-4-19(15-18)29-12-2-9-26-10-13-28-14-11-26/h1,3-8,15H,2,9-14H2,(H,25,27) | PDB
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| n/a | n/a | 93 | 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)) | BDBM50276799
(2-(Adamantan-1-ylamino)-N-[3-(3-morpholin-4-yl-pro...)Show SMILES O=C(CNC12CC3CC(CC(C3)C1)C2)Nc1cccc(OCCCN2CCOCC2)c1 |TLB:7:8:6.5.11:12,THB:7:6:8.13.9:12,9:8:5:11.10.12,9:10:7.8.13:5| Show InChI InChI=1S/C25H37N3O3/c29-24(18-26-25-15-19-11-20(16-25)13-21(12-19)17-25)27-22-3-1-4-23(14-22)31-8-2-5-28-6-9-30-10-7-28/h1,3-4,14,19-21,26H,2,5-13,15-18H2,(H,27,29) | PDB
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| n/a | n/a | 110 | 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)) | BDBM50276085
(3-Adamantan-1-yl-N-[2-(4-benzyloxy-phenyl)-ethyl]-...)Show SMILES OC(CC12CC3CC(CC(C3)C1)C2)C(=O)NCCc1ccc(OCc2ccccc2)cc1 |TLB:6:7:5.4.10:11,THB:6:5:7.12.8:11,8:7:4:10.9.11,8:9:6.7.12:4| Show InChI InChI=1S/C28H35NO3/c30-26(18-28-15-22-12-23(16-28)14-24(13-22)17-28)27(31)29-11-10-20-6-8-25(9-7-20)32-19-21-4-2-1-3-5-21/h1-9,22-24,26,30H,10-19H2,(H,29,31) | PDB
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| n/a | n/a | 185 | 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)) | BDBM50276122
(2-Adamantan-1-yl-N-(4-benzyloxy-phenyl)-2-oxo-acet...)Show SMILES O=C(Nc1ccc(OCc2ccccc2)cc1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:17:19:22.21.26:24,THB:17:19:22:26.25.24,20:19:22.21.26:24,20:21:24:19.28.27,27:19:22:26.25.24,27:25:22:19.28.20| Show InChI InChI=1S/C25H27NO3/c27-23(25-13-18-10-19(14-25)12-20(11-18)15-25)24(28)26-21-6-8-22(9-7-21)29-16-17-4-2-1-3-5-17/h1-9,18-20H,10-16H2,(H,26,28) | PDB
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| n/a | n/a | 210 | 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)) | BDBM50276084
(3-Adamantan-1-yl-N-(4-benzyloxy-phenyl)-2-hydroxy-...)Show SMILES OC(CC12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(OCc2ccccc2)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/C26H31NO3/c28-24(16-26-13-19-10-20(14-26)12-21(11-19)15-26)25(29)27-22-6-8-23(9-7-22)30-17-18-4-2-1-3-5-18/h1-9,19-21,24,28H,10-17H2,(H,27,29) | PDB
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| n/a | n/a | 270 | 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)) | BDBM50276083
(2-Adamantan-1-yl-N-(4-benzyloxy-phenyl)-2-hydroxy-...)Show SMILES OC(C(=O)Nc1ccc(OCc2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 |TLB:1:19:22.21.26:24,THB:1:19:22:26.25.24,20:19:22.21.26:24,20:21:24:19.28.27,27:19:22:26.25.24,27:25:22:19.28.20| Show InChI InChI=1S/C25H29NO3/c27-23(25-13-18-10-19(14-25)12-20(11-18)15-25)24(28)26-21-6-8-22(9-7-21)29-16-17-4-2-1-3-5-17/h1-9,18-20,23,27H,10-16H2,(H,26,28) | PDB
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| n/a | n/a | 310 | 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)) | BDBM50276677
(CHEMBL456633 | N-(3-(3-morpholinopropoxy)phenyl)cy...)Show InChI InChI=1S/C20H30N2O3/c23-20(17-6-2-1-3-7-17)21-18-8-4-9-19(16-18)25-13-5-10-22-11-14-24-15-12-22/h4,8-9,16-17H,1-3,5-7,10-15H2,(H,21,23) | PDB
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| n/a | n/a | 390 | 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)) | BDBM50276885
(4-Adamantan-1-yl-2-hydroxy-N-[3-(3-morpholin-4-yl-...)Show SMILES OC(CCC12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(OCCCN2CCOCC2)c1 |TLB:3:4:7.6.11:9,THB:3:4:7:11.10.9,5:4:7.6.11:9,5:6:9:4.13.12,12:4:7:11.10.9,12:10:7:4.13.5| Show InChI InChI=1S/C27H40N2O4/c30-25(5-6-27-17-20-13-21(18-27)15-22(14-20)19-27)26(31)28-23-3-1-4-24(16-23)33-10-2-7-29-8-11-32-12-9-29/h1,3-4,16,20-22,25,30H,2,5-15,17-19H2,(H,28,31) | PDB
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| n/a | n/a | 530 | 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)) | BDBM50276224
(4-Adamantan-1-yl-N-[2-(4-benzyloxy-phenyl)-ethyl]-...)Show SMILES O=C(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/C29H35NO3/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/h1-9,23-25H,10-20H2,(H,30,32) | PDB
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| n/a | n/a | 685 | 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)) | BDBM50276222
(3-Adamantan-1-yl-N-(4-benzyloxy-phenyl)-2-oxo-prop...)Show SMILES O=C(CC12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(OCc2ccccc2)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/C26H29NO3/c28-24(16-26-13-19-10-20(14-26)12-21(11-19)15-26)25(29)27-22-6-8-23(9-7-22)30-17-18-4-2-1-3-5-18/h1-9,19-21H,10-17H2,(H,27,29) | PDB
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| n/a | n/a | 1.11E+3 | 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)) | BDBM50276223
(3-Adamantan-1-yl-N-[2-(4-benzyloxy-phenyl)-ethyl]-...)Show SMILES O=C(CC12CC3CC(CC(C3)C1)C2)C(=O)NCCc1ccc(OCc2ccccc2)cc1 |TLB:6:7:5.4.10:11,THB:6:5:7.12.8:11,8:7:4:10.9.11,8:9:6.7.12:4| Show InChI InChI=1S/C28H33NO3/c30-26(18-28-15-22-12-23(16-28)14-24(13-22)17-28)27(31)29-11-10-20-6-8-25(9-7-20)32-19-21-4-2-1-3-5-21/h1-9,22-24H,10-19H2,(H,29,31) | PDB
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| n/a | n/a | 1.54E+3 | 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)) | BDBM50276800
(2-Adamantan-1-yl-2-hydroxy-N-[3-(3-morpholin-4-yl-...)Show SMILES OC(C(=O)Nc1cccc(OCCCN2CCOCC2)c1)C12CC3CC(CC(C3)C1)C2 |TLB:1:21:24.23.28:26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21,1:21:24:28.27.26| Show InChI InChI=1S/C25H36N2O4/c28-23(25-15-18-11-19(16-25)13-20(12-18)17-25)24(29)26-21-3-1-4-22(14-21)31-8-2-5-27-6-9-30-10-7-27/h1,3-4,14,18-20,23,28H,2,5-13,15-17H2,(H,26,29) | PDB
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| n/a | n/a | >2.00E+3 | 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)) | BDBM50276886
(2-Adamantan-1-yl-N-[3-(3-morpholin-4-yl-propoxy)-p...)Show SMILES O=C(Nc1cccc(OCCCN2CCOCC2)c1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:19:21:24.23.28:26,THB:22:21:24.23.28:26,22:23:26:21.30.29,29:21:24:28.27.26,29:27:24:21.30.22,19:21:24:28.27.26| Show InChI InChI=1S/C25H34N2O4/c28-23(25-15-18-11-19(16-25)13-20(12-18)17-25)24(29)26-21-3-1-4-22(14-21)31-8-2-5-27-6-9-30-10-7-27/h1,3-4,14,18-20H,2,5-13,15-17H2,(H,26,29) | PDB
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| n/a | n/a | >2.00E+3 | 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)) | BDBM50276798
(CHEMBL460836 | N-{3-[3-(morpholin-4-yl)propoxy]phe...)Show SMILES O=S(=O)(Nc1cccc(OCCCN2CCOCC2)c1)NC12CC3CC(CC(C3)C1)C2 |TLB:20:21:24:28.27.26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21| Show InChI InChI=1S/C23H35N3O4S/c27-31(28,25-23-15-18-11-19(16-23)13-20(12-18)17-23)24-21-3-1-4-22(14-21)30-8-2-5-26-6-9-29-10-7-26/h1,3-4,14,18-20,24-25H,2,5-13,15-17H2 | PDB
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| n/a | n/a | 3.60E+3 | 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)) | BDBM50276728
(CHEMBL517099 | N-(3-(3-morpholinopropoxy)phenyl)-4...)Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc1cccc(OCCCN2CCOCC2)c1 Show InChI InChI=1S/C20H23F3N2O4S/c21-20(22,23)16-5-7-19(8-6-16)30(26,27)24-17-3-1-4-18(15-17)29-12-2-9-25-10-13-28-14-11-25/h1,3-8,15,24H,2,9-14H2 | PDB
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| n/a | n/a | 1.50E+4 | 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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