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Compile Data Set for Download or QSAR

Found 305 hits of ic50 for UniProtKB: P80299   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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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)
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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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)
BDBM50581725
PNG
(CHEMBL5081862)
Show SMILES CC12CC3CC(CC(C1)c1ccccc31)(C2)NC(=O)N[C@H]1CC[C@@H](CC1)Oc1ccc(cc1)C(O)=O |r,wU:23.30,wD:20.23,TLB:14:3:7.6.8:15,10:9:4:2.1.15,13:14:4:2.1.15,THB:8:7:4:2.1.15,8:1:4:14.7.6.9,9:7:3.4.2:15,0:1:4:14.7.6.9,(54.65,-28.03,;55.05,-29.51,;54.03,-30.74,;54.03,-32.3,;55.42,-32.86,;56.42,-31.6,;55.04,-31.94,;53.73,-31.46,;53.72,-29.99,;51.45,-31.64,;49.96,-32.05,;49.58,-33.55,;50.69,-34.63,;52.17,-34.21,;52.54,-32.72,;56.43,-30.09,;57.74,-32.36,;59.06,-31.6,;59.06,-30.07,;60.38,-32.36,;61.71,-31.59,;63.04,-32.37,;64.37,-31.61,;64.38,-30.07,;63.05,-29.29,;61.71,-30.06,;65.72,-29.3,;67.05,-30.08,;67.03,-31.61,;68.36,-32.39,;69.7,-31.63,;69.7,-30.08,;68.37,-29.31,;71.03,-32.4,;71.03,-33.94,;72.37,-31.64,)|
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TBA

Assay Description
Inhibition of rat recombinant sEH using CMNPC as substrate incubated for 5 mins by fluorescent based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01601
BindingDB Entry DOI: 10.7270/Q2H70KPP
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50581728
PNG
(CHEMBL5093683)
Show SMILES OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(F)(CC(C2)c2ccccc42)C3)cc1 |r,wU:8.7,wD:11.14,TLB:32:20:25.26.24:33,28:27:19:21.22.33,31:32:19:21.22.33,THB:24:25:19:21.22.33,24:22:19:32.25.26.27,27:25:20.19.21:33,23:22:19:32.25.26.27,(74.96,-46.38,;74.97,-44.84,;76.3,-44.08,;73.64,-44.07,;72.3,-44.83,;70.97,-44.06,;70.98,-42.52,;69.65,-41.74,;68.32,-42.51,;68.31,-44.05,;66.98,-44.81,;65.65,-44.03,;65.64,-42.5,;66.98,-41.73,;64.31,-44.8,;62.99,-44.04,;62.99,-42.52,;61.68,-44.8,;60.36,-44.04,;59.36,-45.3,;57.97,-44.75,;57.96,-43.18,;58.99,-41.95,;58.59,-40.47,;57.65,-42.43,;57.66,-43.9,;58.98,-44.38,;55.38,-44.08,;53.9,-44.49,;53.51,-45.99,;54.63,-47.08,;56.11,-46.65,;56.47,-45.16,;60.37,-42.53,;72.31,-41.75,;73.64,-42.52,)|
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TBA

Assay Description
Inhibition of rat recombinant sEH using CMNPC as substrate incubated for 5 mins by fluorescent based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01601
BindingDB Entry DOI: 10.7270/Q2H70KPP
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50581727
PNG
(CHEMBL5084744)
Show SMILES OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(Cl)(CC(C2)c2ccccc42)C3)cc1 |r,wU:8.7,wD:11.14,TLB:32:20:25.26.24:33,28:27:19:21.22.33,31:32:19:21.22.33,THB:24:25:19:21.22.33,24:22:19:32.25.26.27,27:25:20.19.21:33,23:22:19:32.25.26.27,(49.77,-46.61,;49.78,-45.07,;51.11,-44.3,;48.45,-44.3,;47.11,-45.06,;45.78,-44.28,;45.79,-42.75,;44.46,-41.97,;43.13,-42.73,;43.12,-44.28,;41.79,-45.04,;40.46,-44.26,;40.45,-42.72,;41.79,-41.96,;39.12,-45.03,;37.8,-44.27,;37.8,-42.74,;36.49,-45.03,;35.17,-44.27,;34.17,-45.53,;32.78,-44.97,;32.77,-43.4,;33.8,-42.18,;33.4,-40.69,;32.46,-42.65,;32.47,-44.12,;33.79,-44.61,;30.19,-44.31,;28.71,-44.72,;28.32,-46.22,;29.44,-47.3,;30.92,-46.88,;31.28,-45.39,;35.18,-42.76,;47.12,-41.98,;48.45,-42.75,)|
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TBA

Assay Description
Inhibition of rat recombinant sEH using CMNPC as substrate incubated for 5 mins by fluorescent based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01601
BindingDB Entry DOI: 10.7270/Q2H70KPP
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


(Rattus norvegicus)
BDBM50454599
PNG
(CHEMBL4216368)
Show SMILES Oc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:6.5,wD:9.12,(74.54,-31.49,;73.21,-30.71,;71.87,-31.48,;70.54,-30.71,;70.55,-29.17,;69.22,-28.4,;67.88,-29.16,;67.88,-30.7,;66.55,-31.47,;65.22,-30.69,;65.21,-29.16,;66.55,-28.39,;63.89,-31.47,;62.55,-30.7,;62.55,-29.16,;61.22,-31.47,;59.89,-30.7,;58.55,-31.47,;57.22,-30.7,;57.22,-29.16,;55.88,-28.39,;55.88,-26.85,;55.88,-25.45,;57.13,-25.83,;54.63,-25.83,;58.55,-28.39,;59.88,-29.15,;71.88,-28.4,;73.21,-29.17,)|
Show InChI InChI=1S/C20H21F3N2O4/c21-20(22,23)29-18-9-3-14(4-10-18)25-19(27)24-13-1-7-16(8-2-13)28-17-11-5-15(26)6-12-17/h3-6,9-13,16,26H,1-2,7-8H2,(H2,24,25,27)/t13-,16-
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n/an/a 1n/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide in rat brain microsomes using CMNPC substrate by fluorescence based assay


Bioorg Med Chem Lett 28: 762-768 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.003
BindingDB Entry DOI: 10.7270/Q2PV6NZ4
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50264113
PNG
(CHEMBL4099452)
Show SMILES COc1ccc(CNC(=O)c2cccc(OC3CCCC3)c2)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H22F3NO3/c1-27-17-10-9-15(19(12-17)21(22,23)24)13-25-20(26)14-5-4-8-18(11-14)28-16-6-2-3-7-16/h4-5,8-12,16H,2-3,6-7,13H2,1H3,(H,25,26)
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n/an/a 1.30n/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat sEH using MNPC as substrate by fluorescence-based assay


J Med Chem 61: 3541-3550 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01804
BindingDB Entry DOI: 10.7270/Q2ZP48KN
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50100519
PNG
(CHEMBL3327067 | US10377744, Compound No. 2391)
Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C18H24F3N3O2/c1-3-12(2)16(25)24-10-8-15(9-11-24)23-17(26)22-14-6-4-13(5-7-14)18(19,20)21/h4-7,12,15H,3,8-11H2,1-2H3,(H2,22,23,26)/t12-/m0/s1
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University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of rat soluble epoxide hydrolase using [3H]-t-DPPO as a substrate by radiometric assay


J Med Chem 57: 7016-30 (2014)


Article DOI: 10.1021/jm500694p
BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50454598
PNG
(CHEMBL4215208)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N[C@H]2CC[C@@H](CC2)Oc2ccc(cc2)C(=O)OCc2ccccc2)cc1 |r,wU:16.19,wD:13.12,(30.34,-3.34,;30.34,-4.74,;31.59,-3.72,;29.09,-3.72,;30.34,-6.28,;31.68,-7.05,;31.67,-8.59,;33.01,-9.36,;34.35,-8.59,;35.68,-9.36,;37.01,-8.59,;37.01,-7.05,;38.35,-9.35,;39.68,-8.58,;41.01,-9.36,;42.34,-8.59,;42.34,-7.05,;41.01,-6.28,;39.67,-7.05,;43.68,-6.28,;45.01,-7.06,;45,-8.6,;46.33,-9.37,;47.67,-8.6,;47.67,-7.05,;46.34,-6.29,;49,-9.37,;49,-10.91,;50.34,-8.6,;51.67,-9.38,;53,-8.61,;54.33,-9.38,;55.67,-8.61,;55.67,-7.07,;54.33,-6.3,;53,-7.07,;34.34,-7.04,;33.01,-6.28,)|
Show InChI InChI=1S/C28H27F3N2O5/c29-28(30,31)38-25-16-10-22(11-17-25)33-27(35)32-21-8-14-24(15-9-21)37-23-12-6-20(7-13-23)26(34)36-18-19-4-2-1-3-5-19/h1-7,10-13,16-17,21,24H,8-9,14-15,18H2,(H2,32,33,35)/t21-,24-
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n/an/a 1.60n/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide in rat brain microsomes using CMNPC substrate by fluorescence based assay


Bioorg Med Chem Lett 28: 762-768 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.003
BindingDB Entry DOI: 10.7270/Q2PV6NZ4
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50417987
PNG
(CHEMBL1672132)
Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)NC1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C21H25N3O/c25-21(23-20-15-19(20)16-7-3-1-4-8-16)22-17-11-13-24(14-12-17)18-9-5-2-6-10-18/h1-10,17,19-20H,11-15H2,(H2,22,23,25)/t19-,20+/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat soluble epoxide hydrolase in cell free system


J Med Chem 54: 851-7 (2012)


Article DOI: 10.1021/jm101273e
BindingDB Entry DOI: 10.7270/Q2M046F1
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50264152
PNG
(CHEMBL4072536)
Show SMILES COc1ccc(CNC(=O)c2ccc(F)c(OC3CCCC3)c2)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H21F4NO3/c1-28-16-8-6-14(17(11-16)21(23,24)25)12-26-20(27)13-7-9-18(22)19(10-13)29-15-4-2-3-5-15/h6-11,15H,2-5,12H2,1H3,(H,26,27)
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University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat sEH using MNPC as substrate by fluorescence-based assay


J Med Chem 61: 3541-3550 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01804
BindingDB Entry DOI: 10.7270/Q2ZP48KN
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50100518
PNG
(CHEMBL3327064 | US10377744, Compound No. 2389)
Show SMILES CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H22F3N3O2/c1-11(2)15(24)23-9-7-14(8-10-23)22-16(25)21-13-5-3-12(4-6-13)17(18,19)20/h3-6,11,14H,7-10H2,1-2H3,(H2,21,22,25)
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n/an/a 1.80n/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of rat soluble epoxide hydrolase using [3H]-t-DPPO as a substrate by radiometric assay


J Med Chem 57: 7016-30 (2014)


Article DOI: 10.1021/jm500694p
BindingDB Entry DOI: 10.7270/Q2FJ2JJQ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50560757
PNG
(CHEMBL4784283)
Show SMILES CC(C)S(=O)(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)O1)C2 |TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21|
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TBA

Assay Description
Inhibition of recombinant rat soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins followed by substrate addition and measured ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00310
BindingDB Entry DOI: 10.7270/Q23F4TCD
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50435764
PNG
(CHEMBL2392692)
Show SMILES CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccc(Br)cc1OC(F)(F)F
Show InChI InChI=1S/C19H22BrF3N6O2/c1-11-26-17(24-2)28-18(27-11)29-7-5-12(6-8-29)16(30)25-10-13-3-4-14(20)9-15(13)31-19(21,22)23/h3-4,9,12H,5-8,10H2,1-2H3,(H,25,30)(H,24,26,27,28)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of rat soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prior ...


Bioorg Med Chem Lett 23: 3584-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.019
BindingDB Entry DOI: 10.7270/Q2J967S5
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50310794
PNG
(CHEMBL1080973 | N-(2,4-dichlorobenzyl)-3-methyl-3-...)
Show SMILES CC1(CCCN(C1)C(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1
Show InChI InChI=1S/C20H22Cl2N2O/c1-20(16-6-3-2-4-7-16)10-5-11-24(14-20)19(25)23-13-15-8-9-17(21)12-18(15)22/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,23,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat soluble epoxide hydrolase


Bioorg Med Chem Lett 19: 5314-20 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.138
BindingDB Entry DOI: 10.7270/Q2S75GFP
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50310797
PNG
(3-methyl-3-phenyl-N-(4-(pyridin-2-yl)benzyl)piperi...)
Show SMILES CC1(CCCN(C1)C(=O)NCc1ccc(cc1)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C25H27N3O/c1-25(22-8-3-2-4-9-22)15-7-17-28(19-25)24(29)27-18-20-11-13-21(14-12-20)23-10-5-6-16-26-23/h2-6,8-14,16H,7,15,17-19H2,1H3,(H,27,29)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat soluble epoxide hydrolase


Bioorg Med Chem Lett 19: 5314-20 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.138
BindingDB Entry DOI: 10.7270/Q2S75GFP
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50310822
PNG
(CHEMBL1078754 | methyl 3-(1-(4-chlorophenylcarbamo...)
Show SMILES COC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C22H25ClN2O3/c1-28-20(26)12-14-22(17-6-3-2-4-7-17)13-5-15-25(16-22)21(27)24-19-10-8-18(23)9-11-19/h2-4,6-11H,5,12-16H2,1H3,(H,24,27)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat soluble epoxide hydrolase


Bioorg Med Chem Lett 19: 5314-20 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.138
BindingDB Entry DOI: 10.7270/Q2S75GFP
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50417983
PNG
(CHEMBL1672128)
Show SMILES COc1cccc2CCC(Cc12)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C21H23NO2/c1-24-20-9-5-8-15-10-11-16(12-18(15)20)21(23)22-19-13-17(19)14-6-3-2-4-7-14/h2-9,16-17,19H,10-13H2,1H3,(H,22,23)/t16?,17-,19+/m1/s1
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Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rat soluble epoxide hydrolase in cell free system


J Med Chem 54: 851-7 (2012)


Article DOI: 10.1021/jm101273e
BindingDB Entry DOI: 10.7270/Q2M046F1
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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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)
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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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)
BDBM50445769
PNG
(CHEMBL3104615)
Show SMILES Fc1cccc(F)c1C(=O)N1CCC2(CCCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C24H24F5N3O3/c25-18-3-1-4-19(26)20(18)21(33)31-13-10-23(11-14-31)9-2-12-32(15-23)22(34)30-16-5-7-17(8-6-16)35-24(27,28)29/h1,3-8H,2,9-15H2,(H,30,34)
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Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenyloxir...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50560743
PNG
(CHEMBL4759592)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)O1)C2 |TLB:12:13:16.15.20:18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13,12:13:16:20.19.18|
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TBA

Assay Description
Inhibition of recombinant rat soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins followed by substrate addition and measured ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00310
BindingDB Entry DOI: 10.7270/Q23F4TCD
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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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)
BDBM50268440
PNG
(2-(2,4-dichlorophenyl)-1-(6-(methylsulfonyl)spiro[...)
Show SMILES CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)Cc3ccc(Cl)cc3Cl)CCc2c1
Show InChI InChI=1S/C22H23Cl2NO4S/c1-30(27,28)18-4-5-20-16(12-18)6-7-22(29-20)8-10-25(11-9-22)21(26)13-15-2-3-17(23)14-19(15)24/h2-5,12,14H,6-11,13H2,1H3
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat soluble epoxide hydrolase


Bioorg Med Chem Lett 19: 3398-404 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.036
BindingDB Entry DOI: 10.7270/Q20C4VP7
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50310818
PNG
(3-methyl-3-phenyl-N-((1S,2R)-2-phenylcyclopropyl)p...)
Show SMILES CC1(CCCN(C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C22H26N2O/c1-22(18-11-6-3-7-12-18)13-8-14-24(16-22)21(25)23-20-15-19(20)17-9-4-2-5-10-17/h2-7,9-12,19-20H,8,13-16H2,1H3,(H,23,25)/t19-,20+,22?/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat soluble epoxide hydrolase


Bioorg Med Chem Lett 19: 5314-20 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.138
BindingDB Entry DOI: 10.7270/Q2S75GFP
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50302475
PNG
(CHEMBL567491 | N-(3,3-diphenylpropyl)-1-(2-ethoxye...)
Show SMILES CCOCCn1cc(ccc1=O)C(=O)NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H28N2O3/c1-2-30-18-17-27-19-22(13-14-24(27)28)25(29)26-16-15-23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,19,23H,2,15-18H2,1H3,(H,26,29)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of rat sEH


Bioorg Med Chem Lett 19: 5864-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.074
BindingDB Entry DOI: 10.7270/Q27944SC
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)
BDBM50441467
PNG
(CHEMBL2436573)
Show SMILES Oc1ccc(F)c(c1)C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C23H23F4N3O4/c24-19-6-3-16(31)13-18(19)20(32)29-10-7-22(8-11-29)9-12-30(14-22)21(33)28-15-1-4-17(5-2-15)34-23(25,26)27/h1-6,13,31H,7-12,14H2,(H,28,33)
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Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat sEH expressed in Sf9 insect cells using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 2...


Bioorg Med Chem Lett 23: 5975-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.054
BindingDB Entry DOI: 10.7270/Q2TT4SDR
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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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)
BDBM50302461
PNG
(CHEMBL567703 | N-((4'-(methylsulfonyl)biphenyl-4-y...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(CNC(=O)c2ccc(OCCC(F)(F)F)nc2)cc1
Show InChI InChI=1S/C23H21F3N2O4S/c1-33(30,31)20-9-6-18(7-10-20)17-4-2-16(3-5-17)14-28-22(29)19-8-11-21(27-15-19)32-13-12-23(24,25)26/h2-11,15H,12-14H2,1H3,(H,28,29)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of rat sEH


Bioorg Med Chem Lett 19: 5864-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.074
BindingDB Entry DOI: 10.7270/Q27944SC
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50441468
PNG
(CHEMBL2436564)
Show SMILES Fc1cccc(F)c1C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C23H22F5N3O3/c24-17-2-1-3-18(25)19(17)20(32)30-11-8-22(9-12-30)10-13-31(14-22)21(33)29-15-4-6-16(7-5-15)34-23(26,27)28/h1-7H,8-14H2,(H,29,33)
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Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat sEH expressed in Sf9 insect cells using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 2...


Bioorg Med Chem Lett 23: 5975-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.054
BindingDB Entry DOI: 10.7270/Q2TT4SDR
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50441469
PNG
(CHEMBL2436586)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)C2(CC2)C(F)(F)F)cc1
Show InChI InChI=1S/C21H23F6N3O3/c22-20(23,24)19(5-6-19)16(31)29-10-7-18(8-11-29)9-12-30(13-18)17(32)28-14-1-3-15(4-2-14)33-21(25,26)27/h1-4H,5-13H2,(H,28,32)
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Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat sEH expressed in Sf9 insect cells using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 2...


Bioorg Med Chem Lett 23: 5975-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.054
BindingDB Entry DOI: 10.7270/Q2TT4SDR
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50297413
PNG
(CHEMBL560537 | N-(3,3-diphenyl-propyl)-nicotinamid...)
Show SMILES O=C(NCCC(c1ccccc1)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C21H20N2O/c24-21(19-12-7-14-22-16-19)23-15-13-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-12,14,16,20H,13,15H2,(H,23,24)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of rhodamine-labeled probe from rat soluble epoxide hydrolase by fluorescence polarization assay


J Med Chem 52: 5880-95 (2009)


Article DOI: 10.1021/jm9005302
BindingDB Entry DOI: 10.7270/Q2BG2P2G
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50310787
PNG
(CHEMBL1079360 | N-(4-chlorophenyl)-3-methyl-3-phen...)
Show SMILES CC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C19H21ClN2O/c1-19(15-6-3-2-4-7-15)12-5-13-22(14-19)18(23)21-17-10-8-16(20)9-11-17/h2-4,6-11H,5,12-14H2,1H3,(H,21,23)
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat soluble epoxide hydrolase


Bioorg Med Chem Lett 19: 5314-20 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.138
BindingDB Entry DOI: 10.7270/Q2S75GFP
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50310799
PNG
(CHEMBL1078265 | N-(4-chlorophenethyl)-3-methyl-3-p...)
Show SMILES CC1(CCCN(C1)C(=O)NCCc1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C21H25ClN2O/c1-21(18-6-3-2-4-7-18)13-5-15-24(16-21)20(25)23-14-12-17-8-10-19(22)11-9-17/h2-4,6-11H,5,12-16H2,1H3,(H,23,25)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat soluble epoxide hydrolase


Bioorg Med Chem Lett 19: 5314-20 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.138
BindingDB Entry DOI: 10.7270/Q2S75GFP
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM25738
PNG
(1-adamantan-1-yl-3-{5-[2-(2-ethoxyethoxy)ethoxy]pe...)
Show SMILES CCOCCOCCOCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27|
Show InChI InChI=1S/C22H40N2O4/c1-2-26-8-9-28-11-10-27-7-5-3-4-6-23-21(25)24-22-15-18-12-19(16-22)14-20(13-18)17-22/h18-20H,2-17H2,1H3,(H2,23,24,25)
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University of California-Davis

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant soluble epoxide hydrolase by fluorescent assay


J Med Chem 50: 3825-40 (2007)


Article DOI: 10.1021/jm070270t
BindingDB Entry DOI: 10.7270/Q2TQ62BW
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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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)
BDBM25737
PNG
(12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27|
Show InChI InChI=1S/C23H40N2O3/c26-21(27)10-8-6-4-2-1-3-5-7-9-11-24-22(28)25-23-15-18-12-19(16-23)14-20(13-18)17-23/h18-20H,1-17H2,(H,26,27)(H2,24,25,28)
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat sEH


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
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)
BDBM50441470
PNG
(CHEMBL2436574)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)c2ccccc2Cl)cc1
Show InChI InChI=1S/C23H23ClF3N3O3/c24-19-4-2-1-3-18(19)20(31)29-12-9-22(10-13-29)11-14-30(15-22)21(32)28-16-5-7-17(8-6-16)33-23(25,26)27/h1-8H,9-15H2,(H,28,32)
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n/an/a 5.20n/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat sEH expressed in Sf9 insect cells using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 2...


Bioorg Med Chem Lett 23: 5975-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.054
BindingDB Entry DOI: 10.7270/Q2TT4SDR
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)
BDBM50305643
PNG
(4-(1-(2,4-dichlorobenzylcarbamoyl)piperidin-4-ylox...)
Show SMILES OC(=O)c1ccc(OC2CCN(CC2)C(=O)NCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C20H20Cl2N2O4/c21-15-4-1-14(18(22)11-15)12-23-20(27)24-9-7-17(8-10-24)28-16-5-2-13(3-6-16)19(25)26/h1-6,11,17H,7-10,12H2,(H,23,27)(H,25,26)
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n/an/a 5.30n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of rhodamine-labeled probe from rat soluble epoxide hydrolase by fluorescence polarization assay


Bioorg Med Chem Lett 20: 571-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.091
BindingDB Entry DOI: 10.7270/Q23R0SZ6
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50441471
PNG
(CHEMBL2436572)
Show SMILES Fc1ccccc1C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C23H23F4N3O3/c24-19-4-2-1-3-18(19)20(31)29-12-9-22(10-13-29)11-14-30(15-22)21(32)28-16-5-7-17(8-6-16)33-23(25,26)27/h1-8H,9-15H2,(H,28,32)
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n/an/a 5.30n/an/an/an/an/an/a



Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat sEH expressed in Sf9 insect cells using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 2...


Bioorg Med Chem Lett 23: 5975-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.054
BindingDB Entry DOI: 10.7270/Q2TT4SDR
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50441472
PNG
(CHEMBL2436578)
Show SMILES Cc1cc(no1)C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C21H23F3N4O4/c1-14-12-17(26-32-14)18(29)27-9-6-20(7-10-27)8-11-28(13-20)19(30)25-15-2-4-16(5-3-15)31-21(22,23)24/h2-5,12H,6-11,13H2,1H3,(H,25,30)
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Toray Industries Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat sEH expressed in Sf9 insect cells using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 2...


Bioorg Med Chem Lett 23: 5975-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.054
BindingDB Entry DOI: 10.7270/Q2TT4SDR
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


(Rattus norvegicus)
BDBM50310800
PNG
(3-methyl-3-phenyl-N-(3-(pyridin-3-yl)propyl)piperi...)
Show SMILES CC1(CCCN(C1)C(=O)NCCCc1cccnc1)c1ccccc1
Show InChI InChI=1S/C21H27N3O/c1-21(19-10-3-2-4-11-19)12-7-15-24(17-21)20(25)23-14-6-9-18-8-5-13-22-16-18/h2-5,8,10-11,13,16H,6-7,9,12,14-15,17H2,1H3,(H,23,25)
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat soluble epoxide hydrolase


Bioorg Med Chem Lett 19: 5314-20 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.138
BindingDB Entry DOI: 10.7270/Q2S75GFP
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50297400
PNG
((S)-4-Cyano-N-[3-(4-fluorophenyl)-3-(4-methanesulf...)
Show SMILES CS(=O)(=O)c1ccc(cc1)[C@@H](CCNC(=O)c1ccc(cc1)C#N)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H21FN2O3S/c1-31(29,30)22-12-8-19(9-13-22)23(18-6-10-21(25)11-7-18)14-15-27-24(28)20-4-2-17(16-26)3-5-20/h2-13,23H,14-15H2,1H3,(H,27,28)/t23-/m0/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of rhodamine-labeled probe from rat soluble epoxide hydrolase by fluorescence polarization assay


J Med Chem 52: 5880-95 (2009)


Article DOI: 10.1021/jm9005302
BindingDB Entry DOI: 10.7270/Q2BG2P2G
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50297414
PNG
(CHEMBL556234 | N-[3-(4-Fluorophenyl)-3-(4-methanes...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(CCNC(=O)c1ccc(OCC(F)(F)F)nc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H22F4N2O4S/c1-35(32,33)20-9-4-17(5-10-20)21(16-2-7-19(25)8-3-16)12-13-29-23(31)18-6-11-22(30-14-18)34-15-24(26,27)28/h2-11,14,21H,12-13,15H2,1H3,(H,29,31)
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of rhodamine-labeled probe from rat soluble epoxide hydrolase by fluorescence polarization assay


J Med Chem 52: 5880-95 (2009)


Article DOI: 10.1021/jm9005302
BindingDB Entry DOI: 10.7270/Q2BG2P2G
More data for this
Ligand-Target Pair
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