Found 41 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)) | BDBM50191878
(1-(1-Acetyl-piperidin-4-ylmethyl)-3-adamantan-1-yl...)Show SMILES CC(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:11:12:15.14.19:17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12| Show InChI InChI=1S/C19H31N3O2/c1-13(23)22-4-2-14(3-5-22)12-20-18(24)21-19-9-15-6-16(10-19)8-17(7-15)11-19/h14-17H,2-12H2,1H3,(H2,20,21,24) | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278163
(CHEMBL469792 | N-cycloheptyl-1-(mesitylsulfonyl)pi...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1 Show InChI InChI=1S/C22H34N2O3S/c1-16-14-17(2)21(18(3)15-16)28(26,27)24-12-10-19(11-13-24)22(25)23-20-8-6-4-5-7-9-20/h14-15,19-20H,4-13H2,1-3H3,(H,23,25) | PDB
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Article
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| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278131
(CHEMBL469579 | tert-butyl 4-(1-(mesitylsulfonyl)pi...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCN(CC1)C(=O)OC(C)(C)C Show InChI InChI=1S/C25H39N3O5S/c1-17-15-18(2)22(19(3)16-17)34(31,32)28-13-7-20(8-14-28)23(29)26-21-9-11-27(12-10-21)24(30)33-25(4,5)6/h15-16,20-21H,7-14H2,1-6H3,(H,26,29) | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278134
(CHEMBL469581 | N-(cyclohexylmethyl)-1-(mesitylsulf...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCC1CCCCC1 Show InChI InChI=1S/C22H34N2O3S/c1-16-13-17(2)21(18(3)14-16)28(26,27)24-11-9-20(10-12-24)22(25)23-15-19-7-5-4-6-8-19/h13-14,19-20H,4-12,15H2,1-3H3,(H,23,25) | PDB
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| n/a | n/a | 12.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278187
(CHEMBL469998 | N-(2-chloro-6-fluorobenzyl)-1-(mesi...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1c(F)cccc1Cl Show InChI InChI=1S/C22H26ClFN2O3S/c1-14-11-15(2)21(16(3)12-14)30(28,29)26-9-7-17(8-10-26)22(27)25-13-18-19(23)5-4-6-20(18)24/h4-6,11-12,17H,7-10,13H2,1-3H3,(H,25,27) | PDB
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| n/a | n/a | 12.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278158
(CHEMBL472630 | N-cyclohexyl-1-(mesitylsulfonyl)pip...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C21H32N2O3S/c1-15-13-16(2)20(17(3)14-15)27(25,26)23-11-9-18(10-12-23)21(24)22-19-7-5-4-6-8-19/h13-14,18-19H,4-12H2,1-3H3,(H,22,24) | PDB
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| n/a | n/a | 16.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278145
(CHEMBL469546 | N-(2,4-dichlorobenzyl)-1-(mesitylsu...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H26Cl2N2O3S/c1-14-10-15(2)21(16(3)11-14)30(28,29)26-8-6-17(7-9-26)22(27)25-13-18-4-5-19(23)12-20(18)24/h4-5,10-12,17H,6-9,13H2,1-3H3,(H,25,27) | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278132
(1-(mesitylsulfonyl)-N-(1,2,3,4-tetrahydronaphthale...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCc2ccccc12 Show InChI InChI=1S/C25H32N2O3S/c1-17-15-18(2)24(19(3)16-17)31(29,30)27-13-11-21(12-14-27)25(28)26-23-10-6-8-20-7-4-5-9-22(20)23/h4-5,7,9,15-16,21,23H,6,8,10-14H2,1-3H3,(H,26,28) | PDB
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| n/a | n/a | 20.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278177
(CHEMBL470824 | N-(2,4-dichlorobenzyl)-1-(4-methoxy...)Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C23H28Cl2N2O4S/c1-14-11-21(31-4)15(2)16(3)22(14)32(29,30)27-9-7-17(8-10-27)23(28)26-13-18-5-6-19(24)12-20(18)25/h5-6,11-12,17H,7-10,13H2,1-4H3,(H,26,28) | PDB
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| n/a | n/a | 23.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278152
(CHEMBL471241 | N-isopentyl-1-(mesitylsulfonyl)pipe...)Show SMILES CC(C)CCNC(=O)C1CCN(CC1)S(=O)(=O)c1c(C)cc(C)cc1C Show InChI InChI=1S/C20H32N2O3S/c1-14(2)6-9-21-20(23)18-7-10-22(11-8-18)26(24,25)19-16(4)12-15(3)13-17(19)5/h12-14,18H,6-11H2,1-5H3,(H,21,23) | PDB
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| n/a | n/a | 25.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278155
(CHEMBL470616 | N-(2-chlorobenzyl)-1-(mesitylsulfon...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccccc1Cl Show InChI InChI=1S/C22H27ClN2O3S/c1-15-12-16(2)21(17(3)13-15)29(27,28)25-10-8-18(9-11-25)22(26)24-14-19-6-4-5-7-20(19)23/h4-7,12-13,18H,8-11,14H2,1-3H3,(H,24,26) | PDB
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| n/a | n/a | 27.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278162
(CHEMBL469360 | N-(2-chloro-5-(trifluoromethyl)benz...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1cc(ccc1Cl)C(F)(F)F Show InChI InChI=1S/C23H26ClF3N2O3S/c1-14-10-15(2)21(16(3)11-14)33(31,32)29-8-6-17(7-9-29)22(30)28-13-18-12-19(23(25,26)27)4-5-20(18)24/h4-5,10-12,17H,6-9,13H2,1-3H3,(H,28,30) | PDB
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| n/a | n/a | 28.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278185
(CHEMBL469572 | N-(1-(4-chlorophenyl)ethyl)-1-(mesi...)Show SMILES CC(NC(=O)C1CCN(CC1)S(=O)(=O)c1c(C)cc(C)cc1C)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H29ClN2O3S/c1-15-13-16(2)22(17(3)14-15)30(28,29)26-11-9-20(10-12-26)23(27)25-18(4)19-5-7-21(24)8-6-19/h5-8,13-14,18,20H,9-12H2,1-4H3,(H,25,27) | PDB
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| n/a | n/a | 29.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278128
(CHEMBL469988 | N-(3,4-dichlorobenzyl)-1-(mesitylsu...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C22H26Cl2N2O3S/c1-14-10-15(2)21(16(3)11-14)30(28,29)26-8-6-18(7-9-26)22(27)25-13-17-4-5-19(23)20(24)12-17/h4-5,10-12,18H,6-9,13H2,1-3H3,(H,25,27) | PDB
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278160
(CHEMBL469359 | N-(2,4-difluorobenzyl)-1-(mesitylsu...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(F)cc1F Show InChI InChI=1S/C22H26F2N2O3S/c1-14-10-15(2)21(16(3)11-14)30(28,29)26-8-6-17(7-9-26)22(27)25-13-18-4-5-19(23)12-20(18)24/h4-5,10-12,17H,6-9,13H2,1-3H3,(H,25,27) | PDB
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| n/a | n/a | 32.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278165
(CHEMBL512872 | N'-(2-chlorophenyl)-1-(mesitylsulfo...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NNc1ccccc1Cl Show InChI InChI=1S/C21H26ClN3O3S/c1-14-12-15(2)20(16(3)13-14)29(27,28)25-10-8-17(9-11-25)21(26)24-23-19-7-5-4-6-18(19)22/h4-7,12-13,17,23H,8-11H2,1-3H3,(H,24,26) | PDB
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| n/a | n/a | 33.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278181
(CHEMBL512704 | N-(3,3-diphenylpropyl)-1-(mesitylsu...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C30H36N2O3S/c1-22-20-23(2)29(24(3)21-22)36(34,35)32-18-15-27(16-19-32)30(33)31-17-14-28(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-13,20-21,27-28H,14-19H2,1-3H3,(H,31,33) | PDB
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278129
(1-(mesitylsulfonyl)-N-(2-methylcyclohexyl)piperidi...)Show SMILES CC1CCCCC1NC(=O)C1CCN(CC1)S(=O)(=O)c1c(C)cc(C)cc1C Show InChI InChI=1S/C22H34N2O3S/c1-15-13-17(3)21(18(4)14-15)28(26,27)24-11-9-19(10-12-24)22(25)23-20-8-6-5-7-16(20)2/h13-14,16,19-20H,5-12H2,1-4H3,(H,23,25) | PDB
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| n/a | n/a | 37.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278166
(CHEMBL470837 | N-cyclopentyl-1-(mesitylsulfonyl)pi...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCC1 Show InChI InChI=1S/C20H30N2O3S/c1-14-12-15(2)19(16(3)13-14)26(24,25)22-10-8-17(9-11-22)20(23)21-18-6-4-5-7-18/h12-13,17-18H,4-11H2,1-3H3,(H,21,23) | PDB
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| n/a | n/a | 37.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278180
(1-(mesitylsulfonyl)-N-(naphthalen-1-ylmethyl)piper...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1cccc2ccccc12 Show InChI InChI=1S/C26H30N2O3S/c1-18-15-19(2)25(20(3)16-18)32(30,31)28-13-11-22(12-14-28)26(29)27-17-23-9-6-8-21-7-4-5-10-24(21)23/h4-10,15-16,22H,11-14,17H2,1-3H3,(H,27,29) | PDB
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| n/a | n/a | 39.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278133
(1-(mesitylsulfonyl)-N-(4-methylcyclohexyl)piperidi...)Show SMILES CC1CCC(CC1)NC(=O)C1CCN(CC1)S(=O)(=O)c1c(C)cc(C)cc1C |(9.91,-45.44,;11.25,-44.69,;12.58,-45.48,;13.93,-44.73,;13.94,-43.19,;12.61,-42.41,;11.28,-43.15,;15.28,-42.44,;16.6,-43.23,;16.58,-44.77,;17.95,-42.48,;17.97,-40.93,;19.31,-40.18,;20.64,-40.97,;20.63,-42.51,;19.27,-43.27,;21.98,-40.21,;22.74,-41.55,;21.22,-38.87,;23.31,-39.44,;24.65,-40.21,;24.65,-41.75,;25.99,-39.44,;25.98,-37.89,;27.31,-37.12,;24.65,-37.13,;23.32,-37.9,;21.98,-37.13,)| Show InChI InChI=1S/C22H34N2O3S/c1-15-5-7-20(8-6-15)23-22(25)19-9-11-24(12-10-19)28(26,27)21-17(3)13-16(2)14-18(21)4/h13-15,19-20H,5-12H2,1-4H3,(H,23,25) | PDB
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| n/a | n/a | 39.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278182
(CHEMBL512871 | N-benzyl-1-(mesitylsulfonyl)piperid...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C22H28N2O3S/c1-16-13-17(2)21(18(3)14-16)28(26,27)24-11-9-20(10-12-24)22(25)23-15-19-7-5-4-6-8-19/h4-8,13-14,20H,9-12,15H2,1-3H3,(H,23,25) | PDB
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| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278188
(1-(mesitylsulfonyl)-N-phenethylpiperidine-4-carbox...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C23H30N2O3S/c1-17-15-18(2)22(19(3)16-17)29(27,28)25-13-10-21(11-14-25)23(26)24-12-9-20-7-5-4-6-8-20/h4-8,15-16,21H,9-14H2,1-3H3,(H,24,26) | PDB
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| n/a | n/a | 43.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278150
(CHEMBL480496 | N-(2,4-dichlorobenzyl)-1-(2,4,6-tri...)Show SMILES CC(C)(C)c1cc(c(c(c1)C(C)(C)C)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(Cl)cc1Cl)C(C)(C)C Show InChI InChI=1S/C31H44Cl2N2O3S/c1-29(2,3)22-16-24(30(4,5)6)27(25(17-22)31(7,8)9)39(37,38)35-14-12-20(13-15-35)28(36)34-19-21-10-11-23(32)18-26(21)33/h10-11,16-18,20H,12-15,19H2,1-9H3,(H,34,36) | PDB
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| n/a | n/a | 44.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278149
(CHEMBL470604 | N-(2,4-dichlorobenzyl)-1-(2,4-dimet...)Show SMILES Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C21H24Cl2N2O3S/c1-14-3-6-20(15(2)11-14)29(27,28)25-9-7-16(8-10-25)21(26)24-13-17-4-5-18(22)12-19(17)23/h3-6,11-12,16H,7-10,13H2,1-2H3,(H,24,26) | PDB
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| n/a | n/a | 46.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278154
(CHEMBL511137 | N-(2,3-dihydro-1H-inden-2-yl)-1-(me...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NC1Cc2ccccc2C1 Show InChI InChI=1S/C24H30N2O3S/c1-16-12-17(2)23(18(3)13-16)30(28,29)26-10-8-19(9-11-26)24(27)25-22-14-20-6-4-5-7-21(20)15-22/h4-7,12-13,19,22H,8-11,14-15H2,1-3H3,(H,25,27) | PDB
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| n/a | n/a | 49.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278127
(CHEMBL469784 | N-(4-chlorobenzyl)-1-(mesitylsulfon...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(Cl)cc1 Show InChI InChI=1S/C22H27ClN2O3S/c1-15-12-16(2)21(17(3)13-15)29(27,28)25-10-8-19(9-11-25)22(26)24-14-18-4-6-20(23)7-5-18/h4-7,12-13,19H,8-11,14H2,1-3H3,(H,24,26) | PDB
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278176
(1-(4-chloro-2,5-dimethylphenylsulfonyl)-N-(2,4-dic...)Show SMILES Cc1cc(c(C)cc1Cl)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C21H23Cl3N2O3S/c1-13-10-20(14(2)9-18(13)23)30(28,29)26-7-5-15(6-8-26)21(27)25-12-16-3-4-17(22)11-19(16)24/h3-4,9-11,15H,5-8,12H2,1-2H3,(H,25,27) | PDB
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| n/a | n/a | 52.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278186
(CHEMBL512659 | N-(2-chloro-4-fluorobenzyl)-1-(mesi...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(F)cc1Cl Show InChI InChI=1S/C22H26ClFN2O3S/c1-14-10-15(2)21(16(3)11-14)30(28,29)26-8-6-17(7-9-26)22(27)25-13-18-4-5-19(24)12-20(18)23/h4-5,10-12,17H,6-9,13H2,1-3H3,(H,25,27) | PDB
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| n/a | n/a | 54.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278184
(CHEMBL469361 | N-(2,5-dichlorobenzyl)-1-(mesitylsu...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1cc(Cl)ccc1Cl Show InChI InChI=1S/C22H26Cl2N2O3S/c1-14-10-15(2)21(16(3)11-14)30(28,29)26-8-6-17(7-9-26)22(27)25-13-18-12-19(23)4-5-20(18)24/h4-5,10-12,17H,6-9,13H2,1-3H3,(H,25,27) | PDB
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| n/a | n/a | 59.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278156
(CHEMBL470614 | N-(3-chlorophenethyl)-1-(mesitylsul...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCCc1cccc(Cl)c1 Show InChI InChI=1S/C23H29ClN2O3S/c1-16-13-17(2)22(18(3)14-16)30(28,29)26-11-8-20(9-12-26)23(27)25-10-7-19-5-4-6-21(24)15-19/h4-6,13-15,20H,7-12H2,1-3H3,(H,25,27) | PDB
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| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278179
(4,5-dimethoxy-2-nitrophenyl 4-(2,4-dichlorobenzylc...)Show SMILES COc1cc(OC(=O)N2CCC(CC2)C(=O)NCc2ccc(Cl)cc2Cl)c(cc1OC)[N+]([O-])=O Show InChI InChI=1S/C22H23Cl2N3O7/c1-32-19-10-17(27(30)31)18(11-20(19)33-2)34-22(29)26-7-5-13(6-8-26)21(28)25-12-14-3-4-15(23)9-16(14)24/h3-4,9-11,13H,5-8,12H2,1-2H3,(H,25,28) | PDB
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| n/a | n/a | 75.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278147
(CHEMBL513769 | N-(2,4-dichlorobenzyl)-1-(2-fluorop...)Show SMILES Fc1ccccc1S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H19Cl2FN2O3S/c20-15-6-5-14(16(21)11-15)12-23-19(25)13-7-9-24(10-8-13)28(26,27)18-4-2-1-3-17(18)22/h1-6,11,13H,7-10,12H2,(H,23,25) | PDB
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| n/a | n/a | 87.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278173
(1-(2-bromophenylsulfonyl)-N-(2,4-dichlorobenzyl)pi...)Show SMILES Clc1ccc(CNC(=O)C2CCN(CC2)S(=O)(=O)c2ccccc2Br)c(Cl)c1 Show InChI InChI=1S/C19H19BrCl2N2O3S/c20-16-3-1-2-4-18(16)28(26,27)24-9-7-13(8-10-24)19(25)23-12-14-5-6-15(21)11-17(14)22/h1-6,11,13H,7-10,12H2,(H,23,25) | PDB
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| n/a | n/a | 91.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278126
(CHEMBL472423 | N-(2,4-dichloro-6-methylbenzyl)-1-(...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1c(C)cc(Cl)cc1Cl Show InChI InChI=1S/C23H28Cl2N2O3S/c1-14-9-16(3)22(17(4)10-14)31(29,30)27-7-5-18(6-8-27)23(28)26-13-20-15(2)11-19(24)12-21(20)25/h9-12,18H,5-8,13H2,1-4H3,(H,26,28) | PDB
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| n/a | n/a | 128 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278174
(CHEMBL471860 | N-(2,4-dichlorobenzyl)-1-(4-fluoro-...)Show SMILES [O-][N+](=O)c1cc(F)ccc1S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H18Cl2FN3O5S/c20-14-2-1-13(16(21)9-14)11-23-19(26)12-5-7-24(8-6-12)31(29,30)18-4-3-15(22)10-17(18)25(27)28/h1-4,9-10,12H,5-8,11H2,(H,23,26) | PDB
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| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278175
(1-(4-tert-butylphenylsulfonyl)-N-(2,4-dichlorobenz...)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C23H28Cl2N2O3S/c1-23(2,3)18-5-8-20(9-6-18)31(29,30)27-12-10-16(11-13-27)22(28)26-15-17-4-7-19(24)14-21(17)25/h4-9,14,16H,10-13,15H2,1-3H3,(H,26,28) | PDB
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PubMed
| n/a | n/a | 164 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278161
(CHEMBL513535 | N-(4-chloro-3-(trifluoromethyl)benz...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C23H26ClF3N2O3S/c1-14-10-15(2)21(16(3)11-14)33(31,32)29-8-6-18(7-9-29)22(30)28-13-17-4-5-20(24)19(12-17)23(25,26)27/h4-5,10-12,18H,6-9,13H2,1-3H3,(H,28,30) | PDB
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| n/a | n/a | 173 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278178
(1-(5-chlorothiophen-2-ylsulfonyl)-N-(2,4-dichlorob...)Show SMILES Clc1ccc(s1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C17H17Cl3N2O3S2/c18-13-2-1-12(14(19)9-13)10-21-17(23)11-5-7-22(8-6-11)27(24,25)16-4-3-15(20)26-16/h1-4,9,11H,5-8,10H2,(H,21,23) | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278183
(1-(mesitylsulfonyl)-N-(naphthalen-1-yl)piperidine-...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1cccc2ccccc12 Show InChI InChI=1S/C25H28N2O3S/c1-17-15-18(2)24(19(3)16-17)31(29,30)27-13-11-21(12-14-27)25(28)26-23-10-6-8-20-7-4-5-9-22(20)23/h4-10,15-16,21H,11-14H2,1-3H3,(H,26,28) | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50278164
(1-(mesitylsulfonyl)-N-(piperidin-1-yl)piperidine-4...)Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NN1CCCCC1 Show InChI InChI=1S/C20H31N3O3S/c1-15-13-16(2)19(17(3)14-15)27(25,26)23-11-7-18(8-12-23)20(24)21-22-9-5-4-6-10-22/h13-14,18H,4-12H2,1-3H3,(H,21,24) | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of epoxide hydrolase (unknown origin) |
Bioorg Med Chem Lett 19: 2354-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.09.066
BindingDB Entry DOI: 10.7270/Q2J10322 |
More data for this
Ligand-Target Pair | |
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