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Compile Data Set for Download or QSAR

Found 65 hits with Last Name = 'takanashi' and Initial = 'y'   
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))
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))
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))
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)
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)
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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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


(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)
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


(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


(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))
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


(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)
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


(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))
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
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50446781
PNG
(CHEMBL3114611)
Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)Oc1ccccc1 |r|
Show InChI InChI=1S/C21H24N2O2/c24-21(22-20-15-19(20)16-7-3-1-4-8-16)23-13-11-18(12-14-23)25-17-9-5-2-6-10-17/h1-10,18-20H,11-15H2,(H,22,24)/t19-,20+/m1/s1
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n/an/a 18n/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)
BDBM50446781
PNG
(CHEMBL3114611)
Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)Oc1ccccc1 |r|
Show InChI InChI=1S/C21H24N2O2/c24-21(22-20-15-19(20)16-7-3-1-4-8-16)23-13-11-18(12-14-23)25-17-9-5-2-6-10-17/h1-10,18-20H,11-15H2,(H,22,24)/t19-,20+/m1/s1
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n/an/a 18n/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)
BDBM50446779
PNG
(CHEMBL3114613)
Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)Oc1cccnc1 |r|
Show InChI InChI=1S/C20H23N3O2/c24-20(22-19-13-18(19)15-5-2-1-3-6-15)23-11-8-16(9-12-23)25-17-7-4-10-21-14-17/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,22,24)/t18-,19+/m1/s1
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n/an/a 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)
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 21n/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))
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 22n/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))
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 24n/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))
BDBM50446779
PNG
(CHEMBL3114613)
Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)Oc1cccnc1 |r|
Show InChI InChI=1S/C20H23N3O2/c24-20(22-19-13-18(19)15-5-2-1-3-6-15)23-11-8-16(9-12-23)25-17-7-4-10-21-14-17/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,22,24)/t18-,19+/m1/s1
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n/an/a 25n/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)
BDBM50446776
PNG
(CHEMBL3114616)
Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)Oc1cnccn1 |r|
Show InChI InChI=1S/C19H22N4O2/c24-19(22-17-12-16(17)14-4-2-1-3-5-14)23-10-6-15(7-11-23)25-18-13-20-8-9-21-18/h1-5,8-9,13,15-17H,6-7,10-12H2,(H,22,24)/t16-,17+/m1/s1
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n/an/a 26n/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))
BDBM50446780
PNG
(CHEMBL3114612)
Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)Oc1ccccn1 |r|
Show InChI InChI=1S/C20H23N3O2/c24-20(22-18-14-17(18)15-6-2-1-3-7-15)23-12-9-16(10-13-23)25-19-8-4-5-11-21-19/h1-8,11,16-18H,9-10,12-14H2,(H,22,24)/t17-,18+/m1/s1
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n/an/a 27n/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))
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 27n/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))
BDBM50446776
PNG
(CHEMBL3114616)
Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)Oc1cnccn1 |r|
Show InChI InChI=1S/C19H22N4O2/c24-19(22-17-12-16(17)14-4-2-1-3-5-14)23-10-6-15(7-11-23)25-18-13-20-8-9-21-18/h1-5,8-9,13,15-17H,6-7,10-12H2,(H,22,24)/t16-,17+/m1/s1
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n/an/a 27n/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))
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 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


(Homo sapiens (Human))
BDBM50446757
PNG
(CHEMBL3114606)
Show SMILES OC(=O)c1ccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
Show InChI InChI=1S/C22H24N2O4/c25-21(26)16-6-8-17(9-7-16)28-18-10-12-24(13-11-18)22(27)23-20-14-19(20)15-4-2-1-3-5-15/h1-9,18-20H,10-14H2,(H,23,27)(H,25,26)/t19-,20+/m1/s1
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n/an/a 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
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