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Compile Data Set for Download or QSAR

Found 101 hits with Last Name = 'ishikawa' and Initial = 'c'   
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


(Rattus norvegicus)
BDBM50066840
PNG
(CHEMBL3401639)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N[C@@H]1CCCN(C1)C(=O)N[C@H]1[C@@H]([C@@H]1c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H28FN3O3S/c28-21-13-15-23(16-14-21)35(33,34)30-22-12-7-17-31(18-22)27(32)29-26-24(19-8-3-1-4-9-19)25(26)20-10-5-2-6-11-20/h1-6,8-11,13-16,22,24-26,30H,7,12,17-18H2,(H,29,32)/t22-,24-,25+,26+/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat soluble epoxide hydrolase assessed as increase in fluorescence intensity by fluorescence plate reader


Bioorg Med Chem Lett 25: 1705-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.076
BindingDB Entry DOI: 10.7270/Q25H7HX9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50066843
PNG
(CHEMBL3401636)
Show SMILES O=C(N[C@H]1[C@@H]([C@@H]1c1ccccc1)c1ccccc1)N1CCCCC1 |r|
Show InChI InChI=1S/C21H24N2O/c24-21(23-14-8-3-9-15-23)22-20-18(16-10-4-1-5-11-16)19(20)17-12-6-2-7-13-17/h1-2,4-7,10-13,18-20H,3,8-9,14-15H2,(H,22,24)/t18-,19+,20+
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Sumitomo Dainippon Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat soluble epoxide hydrolase assessed as increase in fluorescence intensity by fluorescence plate reader


Bioorg Med Chem Lett 25: 1705-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.076
BindingDB Entry DOI: 10.7270/Q25H7HX9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50066840
PNG
(CHEMBL3401639)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N[C@@H]1CCCN(C1)C(=O)N[C@H]1[C@@H]([C@@H]1c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H28FN3O3S/c28-21-13-15-23(16-14-21)35(33,34)30-22-12-7-17-31(18-22)27(32)29-26-24(19-8-3-1-4-9-19)25(26)20-10-5-2-6-11-20/h1-6,8-11,13-16,22,24-26,30H,7,12,17-18H2,(H,29,32)/t22-,24-,25+,26+/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase assessed as increase in fluorescence intensity by fluorescence plate reader


Bioorg Med Chem Lett 25: 1705-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.076
BindingDB Entry DOI: 10.7270/Q25H7HX9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50066841
PNG
(CHEMBL3401638)
Show SMILES CS(=O)(=O)N[C@@H]1CCCN(C1)C(=O)N[C@H]1[C@@H]([C@@H]1c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C22H27N3O3S/c1-29(27,28)24-18-13-8-14-25(15-18)22(26)23-21-19(16-9-4-2-5-10-16)20(21)17-11-6-3-7-12-17/h2-7,9-12,18-21,24H,8,13-15H2,1H3,(H,23,26)/t18-,19-,20+,21+/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat soluble epoxide hydrolase assessed as increase in fluorescence intensity by fluorescence plate reader


Bioorg Med Chem Lett 25: 1705-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.076
BindingDB Entry DOI: 10.7270/Q25H7HX9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50066841
PNG
(CHEMBL3401638)
Show SMILES CS(=O)(=O)N[C@@H]1CCCN(C1)C(=O)N[C@H]1[C@@H]([C@@H]1c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C22H27N3O3S/c1-29(27,28)24-18-13-8-14-25(15-18)22(26)23-21-19(16-9-4-2-5-10-16)20(21)17-11-6-3-7-12-17/h2-7,9-12,18-21,24H,8,13-15H2,1H3,(H,23,26)/t18-,19-,20+,21+/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase assessed as increase in fluorescence intensity by fluorescence plate reader


Bioorg Med Chem Lett 25: 1705-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.076
BindingDB Entry DOI: 10.7270/Q25H7HX9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50066843
PNG
(CHEMBL3401636)
Show SMILES O=C(N[C@H]1[C@@H]([C@@H]1c1ccccc1)c1ccccc1)N1CCCCC1 |r|
Show InChI InChI=1S/C21H24N2O/c24-21(23-14-8-3-9-15-23)22-20-18(16-10-4-1-5-11-16)19(20)17-12-6-2-7-13-17/h1-2,4-7,10-13,18-20H,3,8-9,14-15H2,(H,22,24)/t18-,19+,20+
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n/an/a 1.80n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase assessed as increase in fluorescence intensity by fluorescence plate reader


Bioorg Med Chem Lett 25: 1705-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.076
BindingDB Entry DOI: 10.7270/Q25H7HX9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50446774
PNG
(CHEMBL3114618)
Show SMILES Clc1ccccc1OC1CCN(CC1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C21H23ClN2O2/c22-18-8-4-5-9-20(18)26-16-10-12-24(13-11-16)21(25)23-19-14-17(19)15-6-2-1-3-7-15/h1-9,16-17,19H,10-14H2,(H,23,25)/t17-,19+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50066844
PNG
(CHEMBL3401635)
Show SMILES OC(=O)CCc1ccc(OC2CCN(CC2)C(=O)N[C@H]2[C@@H]([C@@H]2c2ccc(F)cc2)c2ccc(F)cc2)cc1 |r|
Show InChI InChI=1S/C30H30F2N2O4/c31-22-8-4-20(5-9-22)27-28(21-6-10-23(32)11-7-21)29(27)33-30(37)34-17-15-25(16-18-34)38-24-12-1-19(2-13-24)3-14-26(35)36/h1-2,4-13,25,27-29H,3,14-18H2,(H,33,37)(H,35,36)/t27-,28+,29+
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n/an/a 2.10n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase assessed as increase in fluorescence intensity by fluorescence plate reader


Bioorg Med Chem Lett 25: 1705-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.076
BindingDB Entry DOI: 10.7270/Q25H7HX9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50446768
PNG
(CHEMBL3114595)
Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C22H23F3N2O2/c23-22(24,25)18-8-4-5-9-20(18)29-16-10-12-27(13-11-16)21(28)26-19-14-17(19)15-6-2-1-3-7-15/h1-9,16-17,19H,10-14H2,(H,26,28)/t17-,19+/m1/s1
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Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50066845
PNG
(CHEMBL3401634)
Show SMILES OC(=O)CCc1ccc(OC2CCN(CC2)C(=O)N[C@H]2[C@@H]([C@@H]2c2ccccc2)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C30H32N2O4/c33-26(34)16-13-21-11-14-24(15-12-21)36-25-17-19-32(20-18-25)30(35)31-29-27(22-7-3-1-4-8-22)28(29)23-9-5-2-6-10-23/h1-12,14-15,25,27-29H,13,16-20H2,(H,31,35)(H,33,34)/t27-,28+,29+
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n/an/a 2.30n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase assessed as increase in fluorescence intensity by fluorescence plate reader


Bioorg Med Chem Lett 25: 1705-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.076
BindingDB Entry DOI: 10.7270/Q25H7HX9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50446754
PNG
(CHEMBL3114609)
Show SMILES OC(=O)c1ccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)c(Cl)c1 |r|
Show InChI InChI=1S/C22H23ClN2O4/c23-18-12-15(21(26)27)6-7-20(18)29-16-8-10-25(11-9-16)22(28)24-19-13-17(19)14-4-2-1-3-5-14/h1-7,12,16-17,19H,8-11,13H2,(H,24,28)(H,26,27)/t17-,19+/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50446771
PNG
(CHEMBL3114592)
Show SMILES Cc1ccccc1OC1CCN(CC1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C22H26N2O2/c1-16-7-5-6-10-21(16)26-18-11-13-24(14-12-18)22(25)23-20-15-19(20)17-8-3-2-4-9-17/h2-10,18-20H,11-15H2,1H3,(H,23,25)/t19-,20+/m1/s1
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n/an/a 3.10n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50066844
PNG
(CHEMBL3401635)
Show SMILES OC(=O)CCc1ccc(OC2CCN(CC2)C(=O)N[C@H]2[C@@H]([C@@H]2c2ccc(F)cc2)c2ccc(F)cc2)cc1 |r|
Show InChI InChI=1S/C30H30F2N2O4/c31-22-8-4-20(5-9-22)27-28(21-6-10-23(32)11-7-21)29(27)33-30(37)34-17-15-25(16-18-34)38-24-12-1-19(2-13-24)3-14-26(35)36/h1-2,4-13,25,27-29H,3,14-18H2,(H,33,37)(H,35,36)/t27-,28+,29+
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n/an/a 3.20n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat soluble epoxide hydrolase assessed as increase in fluorescence intensity by fluorescence plate reader


Bioorg Med Chem Lett 25: 1705-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.076
BindingDB Entry DOI: 10.7270/Q25H7HX9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50446768
PNG
(CHEMBL3114595)
Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C22H23F3N2O2/c23-22(24,25)18-8-4-5-9-20(18)29-16-10-12-27(13-11-16)21(28)26-19-14-17(19)15-6-2-1-3-7-15/h1-9,16-17,19H,10-14H2,(H,26,28)/t17-,19+/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50446755
PNG
(CHEMBL3114608)
Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)Oc1ccc(cc1)-c1nnn[nH]1 |r|
Show InChI InChI=1S/C22H24N6O2/c29-22(23-20-14-19(20)15-4-2-1-3-5-15)28-12-10-18(11-13-28)30-17-8-6-16(7-9-17)21-24-26-27-25-21/h1-9,18-20H,10-14H2,(H,23,29)(H,24,25,26,27)/t19-,20+/m1/s1
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n/an/a 3.30n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50446774
PNG
(CHEMBL3114618)
Show SMILES Clc1ccccc1OC1CCN(CC1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C21H23ClN2O2/c22-18-8-4-5-9-20(18)26-16-10-12-24(13-11-16)21(25)23-19-14-17(19)15-6-2-1-3-7-15/h1-9,16-17,19H,10-14H2,(H,23,25)/t17-,19+/m1/s1
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n/an/a 3.5n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50066845
PNG
(CHEMBL3401634)
Show SMILES OC(=O)CCc1ccc(OC2CCN(CC2)C(=O)N[C@H]2[C@@H]([C@@H]2c2ccccc2)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C30H32N2O4/c33-26(34)16-13-21-11-14-24(15-12-21)36-25-17-19-32(20-18-25)30(35)31-29-27(22-7-3-1-4-8-22)28(29)23-9-5-2-6-10-23/h1-12,14-15,25,27-29H,13,16-20H2,(H,31,35)(H,33,34)/t27-,28+,29+
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n/an/a 3.90n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat soluble epoxide hydrolase assessed as increase in fluorescence intensity by fluorescence plate reader


Bioorg Med Chem Lett 25: 1705-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.076
BindingDB Entry DOI: 10.7270/Q25H7HX9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50446754
PNG
(CHEMBL3114609)
Show SMILES OC(=O)c1ccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)c(Cl)c1 |r|
Show InChI InChI=1S/C22H23ClN2O4/c23-18-12-15(21(26)27)6-7-20(18)29-16-8-10-25(11-9-16)22(28)24-19-13-17(19)14-4-2-1-3-5-14/h1-7,12,16-17,19H,8-11,13H2,(H,24,28)(H,26,27)/t17-,19+/m1/s1
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n/an/a 4.10n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50446771
PNG
(CHEMBL3114592)
Show SMILES Cc1ccccc1OC1CCN(CC1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C22H26N2O2/c1-16-7-5-6-10-21(16)26-18-11-13-24(14-12-18)22(25)23-20-15-19(20)17-8-3-2-4-9-17/h2-10,18-20H,11-15H2,1H3,(H,23,25)/t19-,20+/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50446753
PNG
(CHEMBL3114610)
Show SMILES OC(=O)Cc1ccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)c(Cl)c1 |r|
Show InChI InChI=1S/C23H25ClN2O4/c24-19-12-15(13-22(27)28)6-7-21(19)30-17-8-10-26(11-9-17)23(29)25-20-14-18(20)16-4-2-1-3-5-16/h1-7,12,17-18,20H,8-11,13-14H2,(H,25,29)(H,27,28)/t18-,20+/m1/s1
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n/an/a 4.30n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50446763
PNG
(CHEMBL3114600)
Show SMILES COc1ccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
Show InChI InChI=1S/C22H26N2O3/c1-26-17-7-9-18(10-8-17)27-19-11-13-24(14-12-19)22(25)23-21-15-20(21)16-5-3-2-4-6-16/h2-10,19-21H,11-15H2,1H3,(H,23,25)/t20-,21+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50446764
PNG
(CHEMBL3114599)
Show SMILES COc1cccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)c1 |r|
Show InChI InChI=1S/C22H26N2O3/c1-26-18-8-5-9-19(14-18)27-17-10-12-24(13-11-17)22(25)23-21-15-20(21)16-6-3-2-4-7-16/h2-9,14,17,20-21H,10-13,15H2,1H3,(H,23,25)/t20-,21+/m1/s1
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n/an/a 5.10n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50446775
PNG
(CHEMBL3114617)
Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)OC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C28H30N2O2/c31-28(29-26-20-25(26)21-10-4-1-5-11-21)30-18-16-24(17-19-30)32-27(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24-27H,16-20H2,(H,29,31)/t25-,26+/m1/s1
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n/an/a 5.20n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50446761
PNG
(CHEMBL3114602)
Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)Oc1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C27H28N2O2/c30-27(28-26-19-25(26)21-10-5-2-6-11-21)29-16-14-23(15-17-29)31-24-13-7-12-22(18-24)20-8-3-1-4-9-20/h1-13,18,23,25-26H,14-17,19H2,(H,28,30)/t25-,26+/m1/s1
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n/an/a 5.90n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50336822
PNG
(4-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-N-[(1S,...)
Show SMILES CC(C)c1noc(n1)C1CCN(CC1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C20H26N4O2/c1-13(2)18-22-19(26-23-18)15-8-10-24(11-9-15)20(25)21-17-12-16(17)14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,21,25)/t16-,17+/m1/s1
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n/an/a 6.10n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50446770
PNG
(CHEMBL3114593)
Show SMILES Cc1cccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)c1 |r|
Show InChI InChI=1S/C22H26N2O2/c1-16-6-5-9-19(14-16)26-18-10-12-24(13-11-18)22(25)23-21-15-20(21)17-7-3-2-4-8-17/h2-9,14,18,20-21H,10-13,15H2,1H3,(H,23,25)/t20-,21+/m1/s1
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n/an/a 6.5n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50446753
PNG
(CHEMBL3114610)
Show SMILES OC(=O)Cc1ccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)c(Cl)c1 |r|
Show InChI InChI=1S/C23H25ClN2O4/c24-19-12-15(13-22(27)28)6-7-21(19)30-17-8-10-26(11-9-17)23(29)25-20-14-18(20)16-4-2-1-3-5-16/h1-7,12,17-18,20H,8-11,13-14H2,(H,25,29)(H,27,28)/t18-,20+/m1/s1
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n/an/a 6.60n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50446755
PNG
(CHEMBL3114608)
Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)Oc1ccc(cc1)-c1nnn[nH]1 |r|
Show InChI InChI=1S/C22H24N6O2/c29-22(23-20-14-19(20)15-4-2-1-3-5-15)28-12-10-18(11-13-28)30-17-8-6-16(7-9-17)21-24-26-27-25-21/h1-9,18-20H,10-14H2,(H,23,29)(H,24,25,26,27)/t19-,20+/m1/s1
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n/an/a 6.60n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50446760
PNG
(CHEMBL3114603)
Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)Oc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C27H28N2O2/c30-27(28-26-19-25(26)22-9-5-2-6-10-22)29-17-15-24(16-18-29)31-23-13-11-21(12-14-23)20-7-3-1-4-8-20/h1-14,24-26H,15-19H2,(H,28,30)/t25-,26+/m1/s1
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n/an/a 6.70n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50446769
PNG
(CHEMBL3114594)
Show SMILES Cc1ccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
Show InChI InChI=1S/C22H26N2O2/c1-16-7-9-18(10-8-16)26-19-11-13-24(14-12-19)22(25)23-21-15-20(21)17-5-3-2-4-6-17/h2-10,19-21H,11-15H2,1H3,(H,23,25)/t20-,21+/m1/s1
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n/an/a 6.80n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50446764
PNG
(CHEMBL3114599)
Show SMILES COc1cccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)c1 |r|
Show InChI InChI=1S/C22H26N2O3/c1-26-18-8-5-9-19(14-18)27-17-10-12-24(13-11-17)22(25)23-21-15-20(21)16-6-3-2-4-7-16/h2-9,14,17,20-21H,10-13,15H2,1H3,(H,23,25)/t20-,21+/m1/s1
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n/an/a 7.40n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50446773
PNG
(CHEMBL3114590)
Show SMILES Clc1cccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)c1 |r|
Show InChI InChI=1S/C21H23ClN2O2/c22-16-7-4-8-18(13-16)26-17-9-11-24(12-10-17)21(25)23-20-14-19(20)15-5-2-1-3-6-15/h1-8,13,17,19-20H,9-12,14H2,(H,23,25)/t19-,20+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50336822
PNG
(4-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-N-[(1S,...)
Show SMILES CC(C)c1noc(n1)C1CCN(CC1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C20H26N4O2/c1-13(2)18-22-19(26-23-18)15-8-10-24(11-9-15)20(25)21-17-12-16(17)14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,21,25)/t16-,17+/m1/s1
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n/an/a 8.30n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50446766
PNG
(CHEMBL3114597)
Show SMILES FC(F)(F)c1ccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
Show InChI InChI=1S/C22H23F3N2O2/c23-22(24,25)16-6-8-17(9-7-16)29-18-10-12-27(13-11-18)21(28)26-20-14-19(20)15-4-2-1-3-5-15/h1-9,18-20H,10-14H2,(H,26,28)/t19-,20+/m1/s1
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n/an/a 8.90n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50446770
PNG
(CHEMBL3114593)
Show SMILES Cc1cccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)c1 |r|
Show InChI InChI=1S/C22H26N2O2/c1-16-6-5-9-19(14-16)26-18-10-12-24(13-11-18)22(25)23-21-15-20(21)17-7-3-2-4-8-17/h2-9,14,18,20-21H,10-13,15H2,1H3,(H,23,25)/t20-,21+/m1/s1
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n/an/a 8.90n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50446772
PNG
(CHEMBL3114591)
Show SMILES Clc1ccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
Show InChI InChI=1S/C21H23ClN2O2/c22-16-6-8-17(9-7-16)26-18-10-12-24(13-11-18)21(25)23-20-14-19(20)15-4-2-1-3-5-15/h1-9,18-20H,10-14H2,(H,23,25)/t19-,20+/m1/s1
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n/an/a 9.30n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50446763
PNG
(CHEMBL3114600)
Show SMILES COc1ccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
Show InChI InChI=1S/C22H26N2O3/c1-26-17-7-9-18(10-8-17)27-19-11-13-24(14-12-19)22(25)23-21-15-20(21)16-5-3-2-4-6-16/h2-10,19-21H,11-15H2,1H3,(H,23,25)/t20-,21+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50446765
PNG
(CHEMBL3114598)
Show SMILES COc1ccccc1OC1CCN(CC1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C22H26N2O3/c1-26-20-9-5-6-10-21(20)27-17-11-13-24(14-12-17)22(25)23-19-15-18(19)16-7-3-2-4-8-16/h2-10,17-19H,11-15H2,1H3,(H,23,25)/t18-,19+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50446761
PNG
(CHEMBL3114602)
Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)Oc1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C27H28N2O2/c30-27(28-26-19-25(26)21-10-5-2-6-11-21)29-16-14-23(15-17-29)31-24-13-7-12-22(18-24)20-8-3-1-4-9-20/h1-13,18,23,25-26H,14-17,19H2,(H,28,30)/t25-,26+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50446767
PNG
(CHEMBL3114596)
Show SMILES FC(F)(F)c1cccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)c1 |r|
Show InChI InChI=1S/C22H23F3N2O2/c23-22(24,25)16-7-4-8-18(13-16)29-17-9-11-27(12-10-17)21(28)26-20-14-19(20)15-5-2-1-3-6-15/h1-8,13,17,19-20H,9-12,14H2,(H,26,28)/t19-,20+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50066847
PNG
(CHEMBL3401632)
Show SMILES C[C@H]1[C@H](NC(=O)N2CCC(CC2)Oc2ccc(CCC(O)=O)cc2)[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C25H30N2O4/c1-17-23(19-5-3-2-4-6-19)24(17)26-25(30)27-15-13-21(14-16-27)31-20-10-7-18(8-11-20)9-12-22(28)29/h2-8,10-11,17,21,23-24H,9,12-16H2,1H3,(H,26,30)(H,28,29)/t17-,23-,24+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase assessed as increase in fluorescence intensity by fluorescence plate reader


Bioorg Med Chem Lett 25: 1705-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.076
BindingDB Entry DOI: 10.7270/Q25H7HX9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50066847
PNG
(CHEMBL3401632)
Show SMILES C[C@H]1[C@H](NC(=O)N2CCC(CC2)Oc2ccc(CCC(O)=O)cc2)[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C25H30N2O4/c1-17-23(19-5-3-2-4-6-19)24(17)26-25(30)27-15-13-21(14-16-27)31-20-10-7-18(8-11-20)9-12-22(28)29/h2-8,10-11,17,21,23-24H,9,12-16H2,1H3,(H,26,30)(H,28,29)/t17-,23-,24+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat soluble epoxide hydrolase assessed as increase in fluorescence intensity by fluorescence plate reader


Bioorg Med Chem Lett 25: 1705-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.076
BindingDB Entry DOI: 10.7270/Q25H7HX9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50446778
PNG
(CHEMBL3114614)
Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)Oc1ccncc1 |r|
Show InChI InChI=1S/C20H23N3O2/c24-20(22-19-14-18(19)15-4-2-1-3-5-15)23-12-8-17(9-13-23)25-16-6-10-21-11-7-16/h1-7,10-11,17-19H,8-9,12-14H2,(H,22,24)/t18-,19+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50446760
PNG
(CHEMBL3114603)
Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)Oc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C27H28N2O2/c30-27(28-26-19-25(26)22-9-5-2-6-10-22)29-17-15-24(16-18-29)31-23-13-11-21(12-14-23)20-7-3-1-4-8-20/h1-14,24-26H,15-19H2,(H,28,30)/t25-,26+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50446773
PNG
(CHEMBL3114590)
Show SMILES Clc1cccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)c1 |r|
Show InChI InChI=1S/C21H23ClN2O2/c22-16-7-4-8-18(13-16)26-17-9-11-24(12-10-17)21(25)23-20-14-19(20)15-5-2-1-3-6-15/h1-8,13,17,19-20H,9-12,14H2,(H,23,25)/t19-,20+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50446765
PNG
(CHEMBL3114598)
Show SMILES COc1ccccc1OC1CCN(CC1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C22H26N2O3/c1-26-20-9-5-6-10-21(20)27-17-11-13-24(14-12-17)22(25)23-19-15-18(19)16-7-3-2-4-8-16/h2-10,17-19H,11-15H2,1H3,(H,23,25)/t18-,19+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50066842
PNG
(CHEMBL3401637)
Show SMILES CN1CCN(CC1)C(=O)N[C@H]1[C@@H]([C@@H]1c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C21H25N3O/c1-23-12-14-24(15-13-23)21(25)22-20-18(16-8-4-2-5-9-16)19(20)17-10-6-3-7-11-17/h2-11,18-20H,12-15H2,1H3,(H,22,25)/t18-,19+,20+
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n/an/a 14n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase assessed as increase in fluorescence intensity by fluorescence plate reader


Bioorg Med Chem Lett 25: 1705-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.076
BindingDB Entry DOI: 10.7270/Q25H7HX9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50446769
PNG
(CHEMBL3114594)
Show SMILES Cc1ccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
Show InChI InChI=1S/C22H26N2O2/c1-16-7-9-18(10-8-16)26-19-11-13-24(14-12-19)22(25)23-21-15-20(21)17-5-3-2-4-6-17/h2-10,19-21H,11-15H2,1H3,(H,23,25)/t20-,21+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50446762
PNG
(CHEMBL3114601)
Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)Oc1ccccc1-c1ccccc1 |r|
Show InChI InChI=1S/C27H28N2O2/c30-27(28-25-19-24(25)21-11-5-2-6-12-21)29-17-15-22(16-18-29)31-26-14-8-7-13-23(26)20-9-3-1-4-10-20/h1-14,22,24-25H,15-19H2,(H,28,30)/t24-,25+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50446767
PNG
(CHEMBL3114596)
Show SMILES FC(F)(F)c1cccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)c1 |r|
Show InChI InChI=1S/C22H23F3N2O2/c23-22(24,25)16-7-4-8-18(13-16)29-17-9-11-27(12-10-17)21(28)26-20-14-19(20)15-5-2-1-3-6-15/h1-8,13,17,19-20H,9-12,14H2,(H,26,28)/t19-,20+/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
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