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Patent code US10377744

Compile Data Set for Download or QSAR
Found 62 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM409005
PNG
(US10377744, Compound No. 26)
Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1
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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<0.0500n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM409007
PNG
(US10377744, Compound No. 28)
Show SMILES FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)C(=O)C2(CC2)C(F)(F)F)cc1
Show InChI InChI=1S/C18H19F6N3O2/c19-17(20,21)11-1-3-12(4-2-11)25-15(29)26-13-5-9-27(10-6-13)14(28)16(7-8-16)18(22,23)24/h1-4,13H,5-10H2,(H2,25,26,29)
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0.0500n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM409005
PNG
(US10377744, Compound No. 26)
Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1
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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Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM409009
PNG
(US10377744, Compound No. 30)
Show SMILES Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2(CC2)C(F)(F)F)ccc1OC(F)(F)F
Show InChI InChI=1S/C18H18F7N3O3/c19-12-9-11(1-2-13(12)31-18(23,24)25)27-15(30)26-10-3-7-28(8-4-10)14(29)16(5-6-16)17(20,21)22/h1-2,9-10H,3-8H2,(H2,26,27,30)
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Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM409020
PNG
(US10377744, Compound No. 40)
Show SMILES CCOC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1
Show InChI InChI=1S/C16H19F4N3O4/c1-2-26-15(25)23-7-5-10(6-8-23)21-14(24)22-11-3-4-13(12(17)9-11)27-16(18,19)20/h3-4,9-10H,2,5-8H2,1H3,(H2,21,22,24)
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<0.0500n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM409030
PNG
(US10377744, Compound No. 51)
Show SMILES CCC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1
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)
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0.0600n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM409016
PNG
(US10377744, Compound No. 36)
Show SMILES Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2(CC2)C(F)(F)F)ccc1C(F)(F)F
Show InChI InChI=1S/C18H18F7N3O2/c19-13-9-11(1-2-12(13)17(20,21)22)27-15(30)26-10-3-7-28(8-4-10)14(29)16(5-6-16)18(23,24)25/h1-2,9-10H,3-8H2,(H2,26,27,30)
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0.0800n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM409003
PNG
(US10377744, Compound No. 24)
Show SMILES Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2CC2)ccc1OC(F)(F)F
Show InChI InChI=1S/C17H19F4N3O3/c18-13-9-12(3-4-14(13)27-17(19,20)21)23-16(26)22-11-5-7-24(8-6-11)15(25)10-1-2-10/h3-4,9-11H,1-2,5-8H2,(H2,22,23,26)
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0.150n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50100521
PNG
(CHEMBL3327078 | US10377744, Compound No. 2696)
Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H24F3N3O3/c1-3-12(2)16(25)24-10-8-14(9-11-24)23-17(26)22-13-4-6-15(7-5-13)27-18(19,20)21/h4-7,12,14H,3,8-11H2,1-2H3,(H2,22,23,26)/t12-/m0/s1
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0.190n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM408992
PNG
(US10377744, Compound No. 13 | US10377744, Compound...)
Show SMILES Cc1occc1C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H20F3N3O3/c1-12-16(8-11-28-12)17(26)25-9-6-15(7-10-25)24-18(27)23-14-4-2-13(3-5-14)19(20,21)22/h2-5,8,11,15H,6-7,9-10H2,1H3,(H2,23,24,27)
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0.220n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
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
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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Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM408986
PNG
(US10377744, Compound No. 7)
Show SMILES Cc1ccoc1C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H20F3N3O4/c1-12-8-11-28-16(12)17(26)25-9-6-14(7-10-25)24-18(27)23-13-2-4-15(5-3-13)29-19(20,21)22/h2-5,8,11,14H,6-7,9-10H2,1H3,(H2,23,24,27)
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Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50100520
PNG
(CHEMBL3327077 | US10377744, Compound No. 2422)
Show SMILES CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C17H22F3N3O3/c1-11(2)15(24)23-9-7-13(8-10-23)22-16(25)21-12-3-5-14(6-4-12)26-17(18,19)20/h3-6,11,13H,7-10H2,1-2H3,(H2,21,22,25)
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0.310n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM408998
PNG
(US10377744, Compound No. 19)
Show SMILES CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1
Show InChI InChI=1S/C17H21F4N3O3/c1-10(2)15(25)24-7-5-11(6-8-24)22-16(26)23-12-3-4-14(13(18)9-12)27-17(19,20)21/h3-4,9-11H,5-8H2,1-2H3,(H2,22,23,26)
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0.310n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM408982
PNG
(US10377744, Compound No. 3)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)c2ccoc2)cc1
Show InChI InChI=1S/C18H18F3N3O4/c19-18(20,21)28-15-3-1-13(2-4-15)22-17(26)23-14-5-8-24(9-6-14)16(25)12-7-10-27-11-12/h1-4,7,10-11,14H,5-6,8-9H2,(H2,22,23,26)
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0.330n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM409014
PNG
(US10377744, Compound No. 34 | US10377744, Syn34)
Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C18H23F4N3O2/c1-3-11(2)16(26)25-8-6-12(7-9-25)23-17(27)24-13-4-5-14(15(19)10-13)18(20,21)22/h4-5,10-12H,3,6-9H2,1-2H3,(H2,23,24,27)/t11-/m0/s1
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0.370n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM409014
PNG
(US10377744, Compound No. 34 | US10377744, Syn34)
Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C18H23F4N3O2/c1-3-11(2)16(26)25-8-6-12(7-9-25)23-17(27)24-13-4-5-14(15(19)10-13)18(20,21)22/h4-5,10-12H,3,6-9H2,1-2H3,(H2,23,24,27)/t11-/m0/s1
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0.370n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM409012
PNG
(US10377744, Compound No. 32)
Show SMILES Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2CC2)ccc1C(F)(F)F
Show InChI InChI=1S/C17H19F4N3O2/c18-14-9-12(3-4-13(14)17(19,20)21)23-16(26)22-11-5-7-24(8-6-11)15(25)10-1-2-10/h3-4,9-11H,1-2,5-8H2,(H2,22,23,26)
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0.380n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM409021
PNG
(US10377744, Compound No. 41)
Show SMILES CCOC(=O)N1CCC(CC1)NC(=O)Nc1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C16H19F4N3O3/c1-2-26-15(25)23-7-5-10(6-8-23)21-14(24)22-11-3-4-12(13(17)9-11)16(18,19)20/h3-4,9-10H,2,5-8H2,1H3,(H2,21,22,24)
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0.380n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM408999
PNG
(US10377744, Compound No. 20)
Show SMILES CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C17H21F4N3O2/c1-10(2)15(25)24-7-5-11(6-8-24)22-16(26)23-12-3-4-13(14(18)9-12)17(19,20)21/h3-4,9-11H,5-8H2,1-2H3,(H2,22,23,26)
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0.490n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM408995
PNG
(US10377744, Compound No. 16)
Show SMILES FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)C(=O)c2cc[nH]c2)cc1
Show InChI InChI=1S/C18H19F3N4O2/c19-18(20,21)13-1-3-14(4-2-13)23-17(27)24-15-6-9-25(10-7-15)16(26)12-5-8-22-11-12/h1-5,8,11,15,22H,6-7,9-10H2,(H2,23,24,27)
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0.5n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM408992
PNG
(US10377744, Compound No. 13 | US10377744, Compound...)
Show SMILES Cc1occc1C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H20F3N3O3/c1-12-16(8-11-28-12)17(26)25-9-6-15(7-10-25)24-18(27)23-14-4-2-13(3-5-14)19(20,21)22/h2-5,8,11,15H,6-7,9-10H2,1H3,(H2,23,24,27)
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0.510n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM408985
PNG
(US10377744, Compound No. 6)
Show SMILES Cc1occc1C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H20F3N3O4/c1-12-16(8-11-28-12)17(26)25-9-6-14(7-10-25)24-18(27)23-13-2-4-15(5-3-13)29-19(20,21)22/h2-5,8,11,14H,6-7,9-10H2,1H3,(H2,23,24,27)
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0.550n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM408981
PNG
(US10377744, Compound No. 2)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)c2cc[nH]c2)cc1
Show InChI InChI=1S/C18H19F3N4O3/c19-18(20,21)28-15-3-1-13(2-4-15)23-17(27)24-14-6-9-25(10-7-14)16(26)12-5-8-22-11-12/h1-5,8,11,14,22H,6-7,9-10H2,(H2,23,24,27)
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0.640n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
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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0.660n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM409023
PNG
(US10377744, Compound No. 43)
Show SMILES Fc1cc(NC(=O)NC2CCN(CC2)C(=O)N2CCOCC2)ccc1OC(F)(F)F
Show InChI InChI=1S/C18H22F4N4O4/c19-14-11-13(1-2-15(14)30-18(20,21)22)24-16(27)23-12-3-5-25(6-4-12)17(28)26-7-9-29-10-8-26/h1-2,11-12H,3-10H2,(H2,23,24,27)
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0.700n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM409004
PNG
(US10377744, Compound No. 25)
Show SMILES Fc1cc(NC(=O)NC2CCN(CC2)C(=O)[C@@H]2CCOC2)ccc1OC(F)(F)F
Show InChI InChI=1S/C18H21F4N3O4/c19-14-9-13(1-2-15(14)29-18(20,21)22)24-17(27)23-12-3-6-25(7-4-12)16(26)11-5-8-28-10-11/h1-2,9,11-12H,3-8,10H2,(H2,23,24,27)/t11-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM409008
PNG
(US10377744, Compound No. 29)
Show SMILES Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2CCOCC2)ccc1OC(F)(F)F
Show InChI InChI=1S/C19H23F4N3O4/c20-15-11-14(1-2-16(15)30-19(21,22)23)25-18(28)24-13-3-7-26(8-4-13)17(27)12-5-9-29-10-6-12/h1-2,11-13H,3-10H2,(H2,24,25,28)
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0.75n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM408984
PNG
(US10377744, Compound No. 5)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C2=COCC2)cc1
Show InChI InChI=1S/C18H20F3N3O4/c19-18(20,21)28-15-3-1-13(2-4-15)22-17(26)23-14-5-8-24(9-6-14)16(25)12-7-10-27-11-12/h1-4,11,14H,5-10H2,(H2,22,23,26)
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0.770n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM409006
PNG
(US10377744, Compound No. 27)
Show SMILES Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2CCCOC2)ccc1OC(F)(F)F
Show InChI InChI=1S/C19H23F4N3O4/c20-15-10-14(3-4-16(15)30-19(21,22)23)25-18(28)24-13-5-7-26(8-6-13)17(27)12-2-1-9-29-11-12/h3-4,10,12-13H,1-2,5-9,11H2,(H2,24,25,28)
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0.780n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM409002
PNG
(US10377744, Compound No. 23)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1
Show InChI InChI=1S/C16H19F4N3O3/c1-2-14(24)23-7-5-10(6-8-23)21-15(25)22-11-3-4-13(12(17)9-11)26-16(18,19)20/h3-4,9-10H,2,5-8H2,1H3,(H2,21,22,25)
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0.870n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50327809
PNG
(1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C16H20F3N3O3/c1-2-14(23)22-9-7-12(8-10-22)21-15(24)20-11-3-5-13(6-4-11)25-16(17,18)19/h3-6,12H,2,7-10H2,1H3,(H2,20,21,24)
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0.910n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM408991
PNG
(US10377744, Compound No. 12)
Show SMILES FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)C(=O)C2=COCC2)cc1
Show InChI InChI=1S/C18H20F3N3O3/c19-18(20,21)13-1-3-14(4-2-13)22-17(26)23-15-5-8-24(9-6-15)16(25)12-7-10-27-11-12/h1-4,11,15H,5-10H2,(H2,22,23,26)
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1.03n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM408990
PNG
(US10377744, Compound No. 11)
Show SMILES FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)C(=O)[C@@H]2CCOC2)cc1
Show InChI InChI=1S/C18H22F3N3O3/c19-18(20,21)13-1-3-14(4-2-13)22-17(26)23-15-5-8-24(9-6-15)16(25)12-7-10-27-11-12/h1-4,12,15H,5-11H2,(H2,22,23,26)/t12-/m1/s1
PDB

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1.19n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM408989
PNG
(US10377744, Compound No. 10)
Show SMILES FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)C(=O)c2ccoc2)cc1
Show InChI InChI=1S/C18H18F3N3O3/c19-18(20,21)13-1-3-14(4-2-13)22-17(26)23-15-5-8-24(9-6-15)16(25)12-7-10-27-11-12/h1-4,7,10-11,15H,5-6,8-9H2,(H2,22,23,26)
PDB

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1.21n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM408983
PNG
(US10377744, Compound No. 4)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)[C@@H]2CCOC2)cc1
Show InChI InChI=1S/C18H22F3N3O4/c19-18(20,21)28-15-3-1-13(2-4-15)22-17(26)23-14-5-8-24(9-6-14)16(25)12-7-10-27-11-12/h1-4,12,14H,5-11H2,(H2,22,23,26)/t12-/m1/s1
PDB

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1.41n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM408978
PNG
(US10377744, Compound No. 1)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CCOCC2)cc1
Show InChI InChI=1S/C19H24F3N3O4/c20-19(21,22)29-16-3-1-14(2-4-16)23-18(27)24-15-5-9-25(10-6-15)17(26)13-7-11-28-12-8-13/h1-4,13,15H,5-12H2,(H2,23,24,27)
PDB

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1.43n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM408996
PNG
(US10377744, Compound No. 17)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CCOC2)cc1
Show InChI InChI=1S/C18H22F3N3O4/c19-18(20,21)28-15-3-1-13(2-4-15)22-17(26)23-14-5-8-24(9-6-14)16(25)12-7-10-27-11-12/h1-4,12,14H,5-11H2,(H2,22,23,26)
PDB

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1.70n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM408988
PNG
(US10377744, Compound No. 9)
Show SMILES FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CCOCC2)cc1
Show InChI InChI=1S/C19H24F3N3O3/c20-19(21,22)14-1-3-15(4-2-14)23-18(27)24-16-5-9-25(10-6-16)17(26)13-7-11-28-12-8-13/h1-4,13,16H,5-12H2,(H2,23,24,27)
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1.73n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM408997
PNG
(US10377744, Compound No. 18)
Show SMILES FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CCOC2)cc1
Show InChI InChI=1S/C18H22F3N3O3/c19-18(20,21)13-1-3-14(4-2-13)22-17(26)23-15-5-8-24(9-6-15)16(25)12-7-10-27-11-12/h1-4,12,15H,5-11H2,(H2,22,23,26)
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1.74n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM409018
PNG
(US10377744, Compound No. 38)
Show SMILES Fc1cc(NC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)ccc1OC(F)(F)F
Show InChI InChI=1S/C15H8F8N2O3/c16-9-5-7(1-3-11(9)27-14(18,19)20)24-13(26)25-8-2-4-12(10(17)6-8)28-15(21,22)23/h1-6H,(H2,24,25,26)
PDB

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1.95n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM408987
PNG
(US10377744, Compound No. 8)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CCCOC2)cc1
Show InChI InChI=1S/C19H24F3N3O4/c20-19(21,22)29-16-5-3-14(4-6-16)23-18(27)24-15-7-9-25(10-8-15)17(26)13-2-1-11-28-12-13/h3-6,13,15H,1-2,7-12H2,(H2,23,24,27)
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1.99n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM409013
PNG
(US10377744, Compound No. 33)
Show SMILES Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2CCOC2)ccc1C(F)(F)F
Show InChI InChI=1S/C18H21F4N3O3/c19-15-9-13(1-2-14(15)18(20,21)22)24-17(27)23-12-3-6-25(7-4-12)16(26)11-5-8-28-10-11/h1-2,9,11-12H,3-8,10H2,(H2,23,24,27)
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2.09n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM408994
PNG
(US10377744, Compound No. 15)
Show SMILES FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)C(=O)C2CCCOC2)cc1
Show InChI InChI=1S/C19H24F3N3O3/c20-19(21,22)14-3-5-15(6-4-14)23-18(27)24-16-7-9-25(10-8-16)17(26)13-2-1-11-28-12-13/h3-6,13,16H,1-2,7-12H2,(H2,23,24,27)
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2.40n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM409015
PNG
(US10377744, Compound No. 35)
Show SMILES Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2CCCOC2)ccc1C(F)(F)F
Show InChI InChI=1S/C19H23F4N3O3/c20-16-10-14(3-4-15(16)19(21,22)23)25-18(28)24-13-5-7-26(8-6-13)17(27)12-2-1-9-29-11-12/h3-4,10,12-13H,1-2,5-9,11H2,(H2,24,25,28)
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2.66n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM409011
PNG
(US10377744, Compound No. 31)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C16H19F4N3O2/c1-2-14(24)23-7-5-10(6-8-23)21-15(25)22-11-3-4-12(13(17)9-11)16(18,19)20/h3-4,9-10H,2,5-8H2,1H3,(H2,21,22,25)
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2.94n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM409029
PNG
(US10377744, Compound No. 49)
Show SMILES CC[C@H](C)C(=O)N1CCC(CC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)CC1
Show InChI InChI=1S/C19H24F4N2O3/c1-3-12(2)18(27)25-8-6-13(7-9-25)10-17(26)24-14-4-5-16(15(20)11-14)28-19(21,22)23/h4-5,11-13H,3,6-10H2,1-2H3,(H,24,26)/t12-/m0/s1
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3.14n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM409024
PNG
(US10377744, Compound No. 44)
Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1
Show InChI InChI=1S/C18H23ClF3N3O3/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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3.35n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM409024
PNG
(US10377744, Compound No. 44)
Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1
Show InChI InChI=1S/C18H23ClF3N3O3/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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3.35n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM409025
PNG
(US10377744, Compound No. 45)
Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(Br)c1
Show InChI InChI=1S/C18H23BrF3N3O3/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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3.40n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM409025
PNG
(US10377744, Compound No. 45)
Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(Br)c1
Show InChI InChI=1S/C18H23BrF3N3O3/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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3.40n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM409017
PNG
(US10377744, Compound No. 37)
Show SMILES Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2CCOCC2)ccc1C(F)(F)F
Show InChI InChI=1S/C19H23F4N3O3/c20-16-11-14(1-2-15(16)19(21,22)23)25-18(28)24-13-3-7-26(8-4-13)17(27)12-5-9-29-10-6-12/h1-2,11-13H,3-10H2,(H2,24,25,28)
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3.83n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM409000
PNG
(US10377744, Compound No. 21)
Show SMILES CC(C)C(=O)N1CCC(CC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)CC1
Show InChI InChI=1S/C18H22F4N2O3/c1-11(2)17(26)24-7-5-12(6-8-24)9-16(25)23-13-3-4-15(14(19)10-13)27-18(20,21)22/h3-4,10-12H,5-9H2,1-2H3,(H,23,25)
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4.72n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM409028
PNG
(US10377744, Compound No. 48)
Show SMILES Fc1cc(NC(=O)CC2CCN(CC2)C(=O)C2CC2)ccc1OC(F)(F)F
Show InChI InChI=1S/C18H20F4N2O3/c19-14-10-13(3-4-15(14)27-18(20,21)22)23-16(25)9-11-5-7-24(8-6-11)17(26)12-1-2-12/h3-4,10-12H,1-2,5-9H2,(H,23,25)
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6.60n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM409027
PNG
(US10377744, Compound No. 47)
Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(OC(F)(F)F)c1
Show InChI InChI=1S/C19H23F6N3O4/c1-3-11(2)16(29)28-8-6-12(7-9-28)26-17(30)27-13-4-5-14(31-18(20,21)22)15(10-13)32-19(23,24)25/h4-5,10-12H,3,6-9H2,1-2H3,(H2,26,27,30)/t11-/m0/s1
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9.07n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM409027
PNG
(US10377744, Compound No. 47)
Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(OC(F)(F)F)c1
Show InChI InChI=1S/C19H23F6N3O4/c1-3-11(2)16(29)28-8-6-12(7-9-28)26-17(30)27-13-4-5-14(31-18(20,21)22)15(10-13)32-19(23,24)25/h4-5,10-12H,3,6-9H2,1-2H3,(H2,26,27,30)/t11-/m0/s1
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9.07n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM409026
PNG
(US10377744, Compound No. 46)
Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H23F6N3O3/c1-3-11(2)16(29)28-8-6-12(7-9-28)26-17(30)27-13-4-5-15(31-19(23,24)25)14(10-13)18(20,21)22/h4-5,10-12H,3,6-9H2,1-2H3,(H2,26,27,30)/t11-/m0/s1
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9.91n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM409026
PNG
(US10377744, Compound No. 46)
Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H23F6N3O3/c1-3-11(2)16(29)28-8-6-12(7-9-28)26-17(30)27-13-4-5-15(31-19(23,24)25)14(10-13)18(20,21)22/h4-5,10-12H,3,6-9H2,1-2H3,(H2,26,27,30)/t11-/m0/s1
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9.91n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM409019
PNG
(US10377744, Compound No. 39)
Show SMILES Fc1cc(NC(=O)NC2CCN(CC2)C(=O)N2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)ccc1OC(F)(F)F
Show InChI InChI=1S/C27H28F8N6O5/c28-19-13-17(1-3-21(19)45-26(30,31)32)38-23(42)36-15-5-9-40(10-6-15)25(44)41-11-7-16(8-12-41)37-24(43)39-18-2-4-22(20(29)14-18)46-27(33,34)35/h1-4,13-16H,5-12H2,(H2,36,38,42)(H2,37,39,43)
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10.1n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM409001
PNG
(US10377744, Compound No. 22)
Show SMILES OC(=O)CC1(CC(=O)N2CCC(CC2)NC(=O)Nc2ccc(cc2)C(F)(F)F)CCCCC1
Show InChI InChI=1S/C23H30F3N3O4/c24-23(25,26)16-4-6-17(7-5-16)27-21(33)28-18-8-12-29(13-9-18)19(30)14-22(15-20(31)32)10-2-1-3-11-22/h4-7,18H,1-3,8-15H2,(H,31,32)(H2,27,28,33)
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10.2n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM100423
PNG
(US10383835, Compound 1153 | US8501783, 1153)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2
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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19.5n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM409022
PNG
(US10377744, Compound No. 42)
Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C17H23F3N4O2/c1-3-11(2)15(25)24-8-6-12(7-9-24)22-16(26)23-13-4-5-14(21-10-13)17(18,19)20/h4-5,10-12H,3,6-9H2,1-2H3,(H2,22,23,26)/t11-/m0/s1
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US Patent
45n/an/an/an/an/an/an/an/a



Eicosis, LLC

US Patent


Assay Description
FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-...


US Patent US10377744 (2019)


BindingDB Entry DOI: 10.7270/Q2N3009K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%