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Compile Data Set for Download or QSAR

Found 77 hits with Last Name = 'pizarro' and Initial = 'j'   
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)
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)
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


(Homo sapiens (Human))
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 human 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


(Homo sapiens (Human))
BDBM409005
PNG
(US10377744, Compound No. 26 | US11123311, Compound...)
Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1 |r|
Show InChI InChI=1S/C18H23F4N3O3/c1-3-11(2)16(26)25-8-6-12(7-9-25)23-17(27)24-13-4-5-15(14(19)10-13)28-18(20,21)22/h4-5,10-12H,3,6-9H2,1-2H3,(H2,23,24,27)/t11-/m0/s1
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TBA

Assay Description
Inhibition of human 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


(Mus musculus (Mouse))
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 mouse 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)
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


(Homo sapiens (Human))
BDBM50217448
PNG
(CHEMBL242459 | US9029401, 1471 (t-AUCB) | trans-4-...)
Show SMILES OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |wU:8.7,wD:11.14,TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23,(19.63,-26.42,;18.81,-25.12,;19.53,-23.76,;17.27,-25.17,;16.54,-26.54,;15.01,-26.59,;14.19,-25.28,;12.65,-25.34,;11.93,-26.7,;12.75,-28.01,;12.03,-29.36,;10.48,-29.42,;9.67,-28.12,;10.39,-26.76,;9.77,-30.78,;8.23,-30.84,;7.41,-29.54,;7.51,-32.21,;5.97,-32.27,;4.96,-33.54,;3.55,-32.98,;2.06,-33.4,;3.25,-32.13,;3.24,-30.64,;4.59,-30.16,;3.55,-31.39,;5.99,-30.74,;4.58,-32.61,;14.91,-23.93,;16.44,-23.87,)|
Show InChI InChI=1S/C24H32N2O4/c27-22(28)18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)25-23(29)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H,27,28)(H2,25,26,29)/t15?,16?,17?,19-,21-,24?
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TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00310
BindingDB Entry DOI: 10.7270/Q23F4TCD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))
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 mouse 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


(Homo sapiens (Human))
BDBM50217448
PNG
(CHEMBL242459 | US9029401, 1471 (t-AUCB) | trans-4-...)
Show SMILES OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |wU:8.7,wD:11.14,TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23,(19.63,-26.42,;18.81,-25.12,;19.53,-23.76,;17.27,-25.17,;16.54,-26.54,;15.01,-26.59,;14.19,-25.28,;12.65,-25.34,;11.93,-26.7,;12.75,-28.01,;12.03,-29.36,;10.48,-29.42,;9.67,-28.12,;10.39,-26.76,;9.77,-30.78,;8.23,-30.84,;7.41,-29.54,;7.51,-32.21,;5.97,-32.27,;4.96,-33.54,;3.55,-32.98,;2.06,-33.4,;3.25,-32.13,;3.24,-30.64,;4.59,-30.16,;3.55,-31.39,;5.99,-30.74,;4.58,-32.61,;14.91,-23.93,;16.44,-23.87,)|
Show InChI InChI=1S/C24H32N2O4/c27-22(28)18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)25-23(29)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H,27,28)(H2,25,26,29)/t15?,16?,17?,19-,21-,24?
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TBA

Assay Description
Inhibition of human 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
3D
3D Structure (crystal)
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
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 human 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


(Homo sapiens (Human))
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 human 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


(Homo sapiens (Human))
BDBM50581720
PNG
(CHEMBL5080024)
Show SMILES CC12CC3CC(CC(C1)c1ccccc31)(C2)NC(=O)Nc1ccc(F)c(F)c1F |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|
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human 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


(Mus musculus (Mouse))
BDBM50217448
PNG
(CHEMBL242459 | US9029401, 1471 (t-AUCB) | trans-4-...)
Show SMILES OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |wU:8.7,wD:11.14,TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23,(19.63,-26.42,;18.81,-25.12,;19.53,-23.76,;17.27,-25.17,;16.54,-26.54,;15.01,-26.59,;14.19,-25.28,;12.65,-25.34,;11.93,-26.7,;12.75,-28.01,;12.03,-29.36,;10.48,-29.42,;9.67,-28.12,;10.39,-26.76,;9.77,-30.78,;8.23,-30.84,;7.41,-29.54,;7.51,-32.21,;5.97,-32.27,;4.96,-33.54,;3.55,-32.98,;2.06,-33.4,;3.25,-32.13,;3.24,-30.64,;4.59,-30.16,;3.55,-31.39,;5.99,-30.74,;4.58,-32.61,;14.91,-23.93,;16.44,-23.87,)|
Show InChI InChI=1S/C24H32N2O4/c27-22(28)18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)25-23(29)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H,27,28)(H2,25,26,29)/t15?,16?,17?,19-,21-,24?
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n/an/a 1.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse 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)
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


(Homo sapiens (Human))
BDBM50581722
PNG
(CHEMBL5081815)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(C)(CC(C1)c1ccccc31)C2 |TLB:27:15:20.21.19:28,23:22:14:16.17.28,26:27:14:16.17.28,THB:19:20:14:16.17.28,19:17:14:27.20.21.22,22:20:15.14.16:28,18:17:14:27.20.21.22|
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TBA

Assay Description
Inhibition of human 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)
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


(Homo sapiens (Human))
BDBM50351247
PNG
(CHEMBL1818385)
Show SMILES Fc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c(F)c1F |TLB:8:9:12:16.14.15,THB:14:13:10:16.15.17,14:15:12.13.18:10,17:15:12:18.9.10,17:9:12:16.14.15|
Show InChI InChI=1S/C17H19F3N2O/c18-12-1-2-13(15(20)14(12)19)21-16(23)22-17-6-9-3-10(7-17)5-11(4-9)8-17/h1-2,9-11H,3-8H2,(H2,21,22,23)
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n/an/a 7.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human 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


(Homo sapiens (Human))
BDBM50351247
PNG
(CHEMBL1818385)
Show SMILES Fc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c(F)c1F |TLB:8:9:12:16.14.15,THB:14:13:10:16.15.17,14:15:12.13.18:10,17:15:12:18.9.10,17:9:12:16.14.15|
Show InChI InChI=1S/C17H19F3N2O/c18-12-1-2-13(15(20)14(12)19)21-16(23)22-17-6-9-3-10(7-17)5-11(4-9)8-17/h1-2,9-11H,3-8H2,(H2,21,22,23)
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n/an/a 7.70n/an/an/an/an/an/a


TBA

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


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


(Homo sapiens (Human))
BDBM50191854
PNG
(CHEMBL436774 | N-(1-acetyl-piperidin-4-yl)-N'-(ada...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)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|
Show InChI InChI=1S/C18H29N3O2/c1-12(22)21-4-2-16(3-5-21)19-17(23)20-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,2-11H2,1H3,(H2,19,20,23)
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TBA

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


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)
BDBM50217448
PNG
(CHEMBL242459 | US9029401, 1471 (t-AUCB) | trans-4-...)
Show SMILES OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |wU:8.7,wD:11.14,TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23,(19.63,-26.42,;18.81,-25.12,;19.53,-23.76,;17.27,-25.17,;16.54,-26.54,;15.01,-26.59,;14.19,-25.28,;12.65,-25.34,;11.93,-26.7,;12.75,-28.01,;12.03,-29.36,;10.48,-29.42,;9.67,-28.12,;10.39,-26.76,;9.77,-30.78,;8.23,-30.84,;7.41,-29.54,;7.51,-32.21,;5.97,-32.27,;4.96,-33.54,;3.55,-32.98,;2.06,-33.4,;3.25,-32.13,;3.24,-30.64,;4.59,-30.16,;3.55,-31.39,;5.99,-30.74,;4.58,-32.61,;14.91,-23.93,;16.44,-23.87,)|
Show InChI InChI=1S/C24H32N2O4/c27-22(28)18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)25-23(29)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H,27,28)(H2,25,26,29)/t15?,16?,17?,19-,21-,24?
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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


(Homo sapiens (Human))
BDBM50191854
PNG
(CHEMBL436774 | N-(1-acetyl-piperidin-4-yl)-N'-(ada...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)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|
Show InChI InChI=1S/C18H29N3O2/c1-12(22)21-4-2-16(3-5-21)19-17(23)20-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,2-11H2,1H3,(H2,19,20,23)
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TBA

Assay Description
Inhibition of human 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


(Homo sapiens (Human))
BDBM50560744
PNG
(CHEMBL4779073)
Show SMILES OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)O2)C3)cc1 |r,wU:8.7,wD:11.14,TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23,(20.44,-38.18,;19.62,-36.87,;20.33,-35.51,;18.08,-36.93,;17.36,-38.29,;15.82,-38.34,;15,-37.03,;13.46,-37.09,;12.74,-38.45,;13.56,-39.76,;12.84,-41.11,;11.3,-41.16,;10.47,-39.87,;11.2,-38.51,;10.58,-42.52,;9.04,-42.59,;8.23,-41.29,;8.33,-43.95,;6.79,-44.01,;5.77,-45.29,;4.37,-44.73,;2.87,-45.14,;4.07,-43.87,;4.06,-42.38,;5.41,-41.91,;4.36,-43.14,;6.8,-42.48,;5.39,-44.36,;15.71,-35.68,;17.25,-35.62,)|
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TBA

Assay Description
Inhibition of human 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


(Homo sapiens (Human))
BDBM50560744
PNG
(CHEMBL4779073)
Show SMILES OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)O2)C3)cc1 |r,wU:8.7,wD:11.14,TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23,(20.44,-38.18,;19.62,-36.87,;20.33,-35.51,;18.08,-36.93,;17.36,-38.29,;15.82,-38.34,;15,-37.03,;13.46,-37.09,;12.74,-38.45,;13.56,-39.76,;12.84,-41.11,;11.3,-41.16,;10.47,-39.87,;11.2,-38.51,;10.58,-42.52,;9.04,-42.59,;8.23,-41.29,;8.33,-43.95,;6.79,-44.01,;5.77,-45.29,;4.37,-44.73,;2.87,-45.14,;4.07,-43.87,;4.06,-42.38,;5.41,-41.91,;4.36,-43.14,;6.8,-42.48,;5.39,-44.36,;15.71,-35.68,;17.25,-35.62,)|
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TBA

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


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


(Mus musculus (Mouse))
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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n/an/a 9.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse 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


(Homo sapiens (Human))
BDBM50560750
PNG
(CHEMBL4778324)
Show SMILES FC(F)(F)c1cc(NC(=O)NC23CC4CC(CC(C4)O2)C3)ccc1Cl |TLB:10:11:14.13.18:16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11,10:11:14:18.17.16|
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TBA

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


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


(Homo sapiens (Human))
BDBM50581721
PNG
(CHEMBL5083623)
Show SMILES CC12CC3CC(CC(C1)c1ccccc31)(NC(=O)Nc1ccc(F)c(F)c1F)O2 |TLB:14:3:7.6.8:28,10:9:4:2.1.28,13:14:4:2.1.28,THB:8:7:4:2.1.28,8:1:4:14.7.6.9,9:7:3.4.2:28,0:1:4:14.7.6.9|
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TBA

Assay Description
Inhibition of human 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


(Homo sapiens (Human))
BDBM50560745
PNG
(CHEMBL4797443)
Show SMILES Fc1ccc(NC(=O)NC23CC4CC(CC(C4)O2)C3)c(F)c1F |TLB:8:9:11.16.12:14,THB:17:9:12:16.15.14,17:15:18.10.9:12,10:11:17.18.9:14,10:9:11.16.12:14,8:9:12:16.15.14|
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TBA

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


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


(Homo sapiens (Human))
BDBM50560745
PNG
(CHEMBL4797443)
Show SMILES Fc1ccc(NC(=O)NC23CC4CC(CC(C4)O2)C3)c(F)c1F |TLB:8:9:11.16.12:14,THB:17:9:12:16.15.14,17:15:18.10.9:12,10:11:17.18.9:14,10:9:11.16.12:14,8:9:12:16.15.14|
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TBA

Assay Description
Inhibition of human 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


(Homo sapiens (Human))
BDBM50581726
PNG
(CHEMBL5084924)
Show SMILES CC12CC3CC(CC(C1)c1ccccc31)(NC(=O)N[C@H]1CC[C@@H](CC1)Oc1ccc(cc1)C(O)=O)O2 |r,wU:22.28,wD:19.21,TLB:14:3:7.6.8:35,10:9:4:2.1.35,13:14:4:2.1.35,THB:8:7:4:2.1.35,8:1:4:14.7.6.9,9:7:3.4.2:35,0:1:4:14.7.6.9,(7.35,-41.62,;7.75,-43.1,;6.73,-44.33,;6.73,-45.9,;8.12,-46.45,;9.12,-45.19,;7.74,-45.53,;6.43,-45.05,;6.42,-43.58,;4.15,-45.23,;2.66,-45.64,;2.27,-47.14,;3.39,-48.23,;4.87,-47.8,;5.24,-46.31,;10.44,-45.95,;11.76,-45.19,;11.76,-43.66,;13.08,-45.95,;14.41,-45.18,;15.74,-45.96,;17.07,-45.2,;17.08,-43.66,;15.75,-42.88,;14.4,-43.65,;18.42,-42.89,;19.75,-43.67,;19.73,-45.21,;21.06,-45.98,;22.4,-45.22,;22.4,-43.67,;21.07,-42.9,;23.73,-45.99,;23.73,-47.53,;25.07,-45.23,;9.13,-43.68,)|
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TBA

Assay Description
Inhibition of human 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


(Homo sapiens (Human))
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 human 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


(Homo sapiens (Human))
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 human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins followed by substrate addition and measure...


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


(Homo sapiens (Human))
BDBM50560751
PNG
(CHEMBL4750570)
Show SMILES FS(F)(F)(F)(F)c1cccc(NC(=O)NC23CC4CC(CC(C4)O2)C3)c1 |TLB:14:15:18.17.22:20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15,14:15:18:22.21.20|
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TBA

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


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


(Homo sapiens (Human))
BDBM50560756
PNG
(CHEMBL4784603)
Show SMILES Fc1ccccc1C(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)O1)C2 |TLB:18:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,18:19:22:26.25.24|
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TBA

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


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


(Homo sapiens (Human))
BDBM50560749
PNG
(CHEMBL4762265)
Show SMILES FC(F)(F)Oc1cc(Cl)cc(NC(=O)NC23CC4CC(CC(C4)O2)C3)c1 |TLB:14:15:18.17.22:20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15,14:15:18:22.21.20|
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TBA

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


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


(Mus musculus (Mouse))
BDBM50560756
PNG
(CHEMBL4784603)
Show SMILES Fc1ccccc1C(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)O1)C2 |TLB:18:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,18:19:22:26.25.24|
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n/an/a 76n/an/an/an/an/an/a


TBA

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


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


(Mus musculus (Mouse))
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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n/an/a 79n/an/an/an/an/an/a


TBA

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


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


(Homo sapiens (Human))
BDBM50560760
PNG
(CHEMBL4753341)
Show SMILES CC(=O)c1ccc(cc1)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)O1)C2 |TLB:18:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,18:19:22:26.25.24|
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TBA

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


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


(Mus musculus (Mouse))
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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n/an/a 92n/an/an/an/an/an/a


TBA

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


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


(Mus musculus (Mouse))
BDBM50560748
PNG
(CHEMBL4751517)
Show SMILES O=C(Nc1ncncn1)NC12CC3CC(CC(C3)O1)C2 |TLB:9:10:13.12.17:15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10,9:10:13:17.16.15|
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n/an/a>100n/an/an/an/an/an/a


TBA

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


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


(Mus musculus (Mouse))
BDBM50560760
PNG
(CHEMBL4753341)
Show SMILES CC(=O)c1ccc(cc1)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)O1)C2 |TLB:18:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,18:19:22:26.25.24|
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n/an/a 107n/an/an/an/an/an/a


TBA

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


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


(Mus musculus (Mouse))
BDBM50560758
PNG
(CHEMBL4800149)
Show SMILES O=C(NC1CCN(CC1)C(=O)C1CC1)NC12CC3CC(CC(C3)O1)C2 |TLB:14:15:18.17.22:20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15,14:15:18:22.21.20|
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n/an/a 130n/an/an/an/an/an/a


TBA

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


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


(Homo sapiens (Human))
BDBM50581718
PNG
(CHEMBL5090478)
Show SMILES CC12CC3CC(CC(C1)c1ccccc31)(C2)NC(=S)Nc1ccc(cc1)C(F)(F)F |TLB:13:14:4:2.1.15,14:3:7.6.8:15,10:9:4:2.1.15,THB:0:1:4:14.7.6.9,8:7:4:2.1.15,8:1:4:14.7.6.9,9:7:3.4.2:15|
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TBA

Assay Description
Inhibition of human 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


(Homo sapiens (Human))
BDBM50560755
PNG
(CHEMBL4785423)
Show SMILES O=C(NC1CCN(CC1)C(=O)c1cccnc1)NC12CC3CC(CC(C3)O1)C2 |TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23|
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TBA

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


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


(Mus musculus (Mouse))
BDBM50560761
PNG
(CHEMBL4758083)
Show SMILES CS(=O)(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)O1)C2 |TLB:13:14:17.16.21:19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14,13:14:17:21.20.19|
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TBA

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


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


(Homo sapiens (Human))
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 human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins followed by substrate addition and measure...


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


(Homo sapiens (Human))
BDBM50560758
PNG
(CHEMBL4800149)
Show SMILES O=C(NC1CCN(CC1)C(=O)C1CC1)NC12CC3CC(CC(C3)O1)C2 |TLB:14:15:18.17.22:20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15,14:15:18:22.21.20|
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TBA

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


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


(Mus musculus (Mouse))
BDBM50560759
PNG
(CHEMBL4764423)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)O1)C2 |TLB:13:14:17.16.21:19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14,13:14:17:21.20.19|
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TBA

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


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


(Homo sapiens (Human))
BDBM50560761
PNG
(CHEMBL4758083)
Show SMILES CS(=O)(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)O1)C2 |TLB:13:14:17.16.21:19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14,13:14:17:21.20.19|
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TBA

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


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


(Mus musculus (Mouse))
BDBM50560755
PNG
(CHEMBL4785423)
Show SMILES O=C(NC1CCN(CC1)C(=O)c1cccnc1)NC12CC3CC(CC(C3)O1)C2 |TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23|
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n/an/a 291n/an/an/an/an/an/a


TBA

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


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


(Mus musculus (Mouse))
BDBM50560750
PNG
(CHEMBL4778324)
Show SMILES FC(F)(F)c1cc(NC(=O)NC23CC4CC(CC(C4)O2)C3)ccc1Cl |TLB:10:11:14.13.18:16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11,10:11:14:18.17.16|
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TBA

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


Citation and Details

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