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PubMed code 26520661

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50133707
PNG
(CHEMBL3633681)
Show SMILES CC12CC3CC(C)(C1)CC(C3)(C2)NC(=O)NCc1cc(on1)-c1ccco1 |TLB:4:5:11:3.2.10,4:3:11:7.5.8,6:5:11:3.2.10,6:5:1.11.2:10,7:1:5.8.4:10,THB:0:1:5.8.4:10,7:5:1.11.2:10|
Show InChI InChI=1S/C21H27N3O3/c1-19-7-14-8-20(2,11-19)13-21(9-14,12-19)23-18(25)22-10-15-6-17(27-24-15)16-4-3-5-26-16/h3-6,14H,7-13H2,1-2H3,(H2,22,23,25)
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n/an/a 4.10n/an/an/an/an/an/a



University of California at Davis

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay


Bioorg Med Chem Lett 25: 5514-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.066
BindingDB Entry DOI: 10.7270/Q28P62C1
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50133694
PNG
(CHEMBL3633668)
Show SMILES O=C(NCc1cc(on1)-c1ccco1)NCC12CC3CC(CC(C3)C1)C2 |TLB:23:18:25:22.21.24,23:22:25:19.18.17,THB:21:20:17:23.22.24,21:22:19.20.25:17|
Show InChI InChI=1S/C20H25N3O3/c24-19(21-11-16-7-18(26-23-16)17-2-1-3-25-17)22-12-20-8-13-4-14(9-20)6-15(5-13)10-20/h1-3,7,13-15H,4-6,8-12H2,(H2,21,22,24)
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n/an/a 4.90n/an/an/an/an/an/a



University of California at Davis

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay


Bioorg Med Chem Lett 25: 5514-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.066
BindingDB Entry DOI: 10.7270/Q28P62C1
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50133695
PNG
(CHEMBL3633669)
Show SMILES Cc1cc(CNC(=O)NCC23CC4CC(CC(C4)C2)C3)on1 |TLB:17:12:19:16.15.18,17:16:19:13.12.11,THB:15:14:11:17.16.18,15:16:13.14.19:11|
Show InChI InChI=1S/C17H25N3O2/c1-11-2-15(22-20-11)9-18-16(21)19-10-17-6-12-3-13(7-17)5-14(4-12)8-17/h2,12-14H,3-10H2,1H3,(H2,18,19,21)
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n/an/a 6.70n/an/an/an/an/an/a



University of California at Davis

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay


Bioorg Med Chem Lett 25: 5514-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.066
BindingDB Entry DOI: 10.7270/Q28P62C1
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50133699
PNG
(CHEMBL3633673)
Show SMILES Fc1ccc(cc1)-c1cc(CNC(=O)NCC23CC4CC(CC(C4)C2)C3)on1 |TLB:23:18:25:22.21.24,23:22:25:19.18.17,THB:21:20:17:23.22.24,21:22:19.20.25:17|
Show InChI InChI=1S/C22H26FN3O2/c23-18-3-1-17(2-4-18)20-8-19(28-26-20)12-24-21(27)25-13-22-9-14-5-15(10-22)7-16(6-14)11-22/h1-4,8,14-16H,5-7,9-13H2,(H2,24,25,27)
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n/an/a 11n/an/an/an/an/an/a



University of California at Davis

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay


Bioorg Med Chem Lett 25: 5514-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.066
BindingDB Entry DOI: 10.7270/Q28P62C1
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50133693
PNG
(CHEMBL3633667)
Show SMILES COc1ccc(cc1)-c1cc(CNC(=O)NCC23CC4CC(CC(C4)C2)C3)no1 |TLB:24:19:26:23.22.25,24:23:26:20.19.18,THB:22:21:18:24.23.25,22:23:20.21.26:18|
Show InChI InChI=1S/C23H29N3O3/c1-28-20-4-2-18(3-5-20)21-9-19(26-29-21)13-24-22(27)25-14-23-10-15-6-16(11-23)8-17(7-15)12-23/h2-5,9,15-17H,6-8,10-14H2,1H3,(H2,24,25,27)
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n/an/a 13n/an/an/an/an/an/a



University of California at Davis

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay


Bioorg Med Chem Lett 25: 5514-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.066
BindingDB Entry DOI: 10.7270/Q28P62C1
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50133706
PNG
(CHEMBL3633680)
Show SMILES COc1ccc(cc1)-c1cc(CNC(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)no1 |TLB:25:23:27:18.19.17,25:18:27:22.23.26,21:20:23.26.25:17,24:23:27:18.19.17,24:23:20.27.19:17,THB:22:20:23.26.25:17,22:23:20.27.19:17|
Show InChI InChI=1S/C24H31N3O3/c1-22-9-16-10-23(2,13-22)15-24(11-16,14-22)26-21(28)25-12-18-8-20(30-27-18)17-4-6-19(29-3)7-5-17/h4-8,16H,9-15H2,1-3H3,(H2,25,26,28)
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n/an/a 15n/an/an/an/an/an/a



University of California at Davis

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay


Bioorg Med Chem Lett 25: 5514-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.066
BindingDB Entry DOI: 10.7270/Q28P62C1
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50133692
PNG
(CHEMBL3633666)
Show SMILES Cc1ccc(cc1)-c1cc(CNC(=O)NCC23CC4CC(CC(C4)C2)C3)no1 |TLB:23:18:25:22.21.24,23:22:25:19.18.17,THB:21:20:17:23.22.24,21:22:19.20.25:17|
Show InChI InChI=1S/C23H29N3O2/c1-15-2-4-19(5-3-15)21-9-20(26-28-21)13-24-22(27)25-14-23-10-16-6-17(11-23)8-18(7-16)12-23/h2-5,9,16-18H,6-8,10-14H2,1H3,(H2,24,25,27)
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n/an/a 15n/an/an/an/an/an/a



University of California at Davis

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay


Bioorg Med Chem Lett 25: 5514-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.066
BindingDB Entry DOI: 10.7270/Q28P62C1
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50133698
PNG
(CHEMBL3633672)
Show SMILES Fc1cccc(c1)-c1cc(CNC(=O)NCC23CC4CC(CC(C4)C2)C3)on1 |TLB:23:18:25:22.21.24,23:22:25:19.18.17,THB:21:20:17:23.22.24,21:22:19.20.25:17|
Show InChI InChI=1S/C22H26FN3O2/c23-18-3-1-2-17(7-18)20-8-19(28-26-20)12-24-21(27)25-13-22-9-14-4-15(10-22)6-16(5-14)11-22/h1-3,7-8,14-16H,4-6,9-13H2,(H2,24,25,27)
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n/an/a 17n/an/an/an/an/an/a



University of California at Davis

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay


Bioorg Med Chem Lett 25: 5514-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.066
BindingDB Entry DOI: 10.7270/Q28P62C1
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50133709
PNG
(CHEMBL3633683)
Show SMILES CC12CC3CC(C)(C1)CC(C3)(C2)NC(=O)NCc1cc(no1)-c1cccc(F)c1 |TLB:4:5:11:3.2.10,4:3:11:7.5.8,6:5:11:3.2.10,6:5:1.11.2:10,7:1:5.8.4:10,THB:0:1:5.8.4:10,7:5:1.11.2:10|
Show InChI InChI=1S/C23H28FN3O2/c1-21-8-15-9-22(2,12-21)14-23(10-15,13-21)26-20(28)25-11-18-7-19(27-29-18)16-4-3-5-17(24)6-16/h3-7,15H,8-14H2,1-2H3,(H2,25,26,28)
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n/an/a 17n/an/an/an/an/an/a



University of California at Davis

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay


Bioorg Med Chem Lett 25: 5514-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.066
BindingDB Entry DOI: 10.7270/Q28P62C1
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50133705
PNG
(CHEMBL3633679)
Show SMILES Cc1ccc(cc1)-c1cc(CNC(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)no1 |TLB:24:22:26:17.18.16,24:17:26:21.22.25,20:19:22.25.24:16,23:22:26:17.18.16,23:22:19.26.18:16,THB:21:19:22.25.24:16,21:22:19.26.18:16|
Show InChI InChI=1S/C24H31N3O2/c1-16-4-6-18(7-5-16)20-8-19(27-29-20)12-25-21(28)26-24-11-17-9-22(2,14-24)13-23(3,10-17)15-24/h4-8,17H,9-15H2,1-3H3,(H2,25,26,28)
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n/an/a 26n/an/an/an/an/an/a



University of California at Davis

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay


Bioorg Med Chem Lett 25: 5514-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.066
BindingDB Entry DOI: 10.7270/Q28P62C1
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50133696
PNG
(CHEMBL3633670)
Show SMILES CCc1cc(CNC(=O)NCC23CC4CC(CC(C4)C2)C3)on1 |TLB:18:13:20:17.16.19,18:17:20:14.13.12,THB:16:15:12:18.17.19,16:17:14.15.20:12|
Show InChI InChI=1S/C18H27N3O2/c1-2-15-6-16(23-21-15)10-19-17(22)20-11-18-7-12-3-13(8-18)5-14(4-12)9-18/h6,12-14H,2-5,7-11H2,1H3,(H2,19,20,22)
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n/an/a 29n/an/an/an/an/an/a



University of California at Davis

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay


Bioorg Med Chem Lett 25: 5514-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.066
BindingDB Entry DOI: 10.7270/Q28P62C1
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50133697
PNG
(CHEMBL3633671)
Show SMILES CC(C)c1cc(CNC(=O)NCC23CC4CC(CC(C4)C2)C3)on1 |TLB:19:14:21:18.17.20,19:18:21:15.14.13,THB:17:16:13:19.18.20,17:18:15.16.21:13|
Show InChI InChI=1S/C19H29N3O2/c1-12(2)17-6-16(24-22-17)10-20-18(23)21-11-19-7-13-3-14(8-19)5-15(4-13)9-19/h6,12-15H,3-5,7-11H2,1-2H3,(H2,20,21,23)
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n/an/a 45n/an/an/an/an/an/a



University of California at Davis

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay


Bioorg Med Chem Lett 25: 5514-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.066
BindingDB Entry DOI: 10.7270/Q28P62C1
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50133704
PNG
(CHEMBL3633678)
Show SMILES Cc1cc(on1)C1CCCN1C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:22:17:24:21.20.23,22:21:24:18.17.16,THB:20:19:16:22.21.23,20:21:18.19.24:16|
Show InChI InChI=1S/C20H29N3O2/c1-13-5-18(25-22-13)17-3-2-4-23(17)19(24)21-12-20-9-14-6-15(10-20)8-16(7-14)11-20/h5,14-17H,2-4,6-12H2,1H3,(H,21,24)
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n/an/a 91n/an/an/an/an/an/a



University of California at Davis

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay


Bioorg Med Chem Lett 25: 5514-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.066
BindingDB Entry DOI: 10.7270/Q28P62C1
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50133708
PNG
(CHEMBL3633682)
Show SMILES Cc1cc(CNC(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)on1 |TLB:18:16:20:11.12.10,18:11:20:15.16.19,14:13:16.19.18:10,17:16:20:11.12.10,17:16:13.20.12:10,THB:15:13:16.19.18:10,15:16:13.20.12:10|
Show InChI InChI=1S/C18H27N3O2/c1-12-4-14(23-21-12)8-19-15(22)20-18-7-13-5-16(2,10-18)9-17(3,6-13)11-18/h4,13H,5-11H2,1-3H3,(H2,19,20,22)
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n/an/a 123n/an/an/an/an/an/a



University of California at Davis

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay


Bioorg Med Chem Lett 25: 5514-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.066
BindingDB Entry DOI: 10.7270/Q28P62C1
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50133703
PNG
(CHEMBL3633677)
Show SMILES CC(C)c1cc(CN(C)C(=O)NCC23CC4CC(CC(C4)C2)C3)on1 |TLB:20:15:22:19.18.21,20:19:22:16.15.14,THB:18:17:14:20.19.21,18:19:16.17.22:14|
Show InChI InChI=1S/C20H31N3O2/c1-13(2)18-7-17(25-22-18)11-23(3)19(24)21-12-20-8-14-4-15(9-20)6-16(5-14)10-20/h7,13-16H,4-6,8-12H2,1-3H3,(H,21,24)
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n/an/a 191n/an/an/an/an/an/a



University of California at Davis

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay


Bioorg Med Chem Lett 25: 5514-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.066
BindingDB Entry DOI: 10.7270/Q28P62C1
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50133702
PNG
(CHEMBL3633676)
Show SMILES CC(C)c1cc(no1)C1CCCN1C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:24:19:26:23.22.25,24:23:26:20.19.18,THB:22:21:18:24.23.25,22:23:20.21.26:18|
Show InChI InChI=1S/C22H33N3O2/c1-14(2)20-9-18(24-27-20)19-4-3-5-25(19)21(26)23-13-22-10-15-6-16(11-22)8-17(7-15)12-22/h9,14-17,19H,3-8,10-13H2,1-2H3,(H,23,26)
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n/an/a 247n/an/an/an/an/an/a



University of California at Davis

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay


Bioorg Med Chem Lett 25: 5514-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.066
BindingDB Entry DOI: 10.7270/Q28P62C1
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50133701
PNG
(CHEMBL3633675)
Show SMILES Cc1cc(no1)C1CCCN1C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:22:17:24:21.20.23,22:21:24:18.17.16,THB:20:19:16:22.21.23,20:21:18.19.24:16|
Show InChI InChI=1S/C20H29N3O2/c1-13-5-17(22-25-13)18-3-2-4-23(18)19(24)21-12-20-9-14-6-15(10-20)8-16(7-14)11-20/h5,14-16,18H,2-4,6-12H2,1H3,(H,21,24)
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n/an/a 524n/an/an/an/an/an/a



University of California at Davis

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay


Bioorg Med Chem Lett 25: 5514-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.066
BindingDB Entry DOI: 10.7270/Q28P62C1
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50133700
PNG
(CHEMBL3633674)
Show SMILES CC(C)c1cc(CN(C)C(=O)NCC23CC4CC(CC(C4)C2)C3)no1 |TLB:20:15:22:19.18.21,20:19:22:16.15.14,THB:18:17:14:20.19.21,18:19:16.17.22:14|
Show InChI InChI=1S/C20H31N3O2/c1-13(2)18-7-17(22-25-18)11-23(3)19(24)21-12-20-8-14-4-15(9-20)6-16(5-14)10-20/h7,13-16H,4-6,8-12H2,1-3H3,(H,21,24)
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n/an/a 576n/an/an/an/an/an/a



University of California at Davis

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay


Bioorg Med Chem Lett 25: 5514-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.066
BindingDB Entry DOI: 10.7270/Q28P62C1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%