BDBM409014 US10377744, Compound No. 34::US10377744, Syn34::US11123311, Compound 34

SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(c(F)c1)C(F)(F)F

InChI Key InChIKey=JZMJFVHUWVWIOY-NSHDSACASA-N

Data  5 KI

Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 409014   

TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
Eicosis, LLC

US Patent
LigandPNGBDBM409014(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
Affinity DataKi:  0.370nMAssay 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-...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
Eicosis, LLC

US Patent
LigandPNGBDBM409014(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
Affinity DataKi:  0.370nMAssay 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-...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
Eicosis, LLC

US Patent
LigandPNGBDBM409014(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
Affinity DataKi:  0.370nMAssay Description:Inhibition of recombinant human sEH expressed in baculovirus expression system assessed as reduction in ACPU binding incubated for 1 hr by FRET displ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
Eicosis, LLC

US Patent
LigandPNGBDBM409014(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
Affinity DataKi:  0.370nMAssay Description:Binding affinity to purified recombinant human sEH by FRET-displacement assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
Eicosis, LLC

US Patent
LigandPNGBDBM409014(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
Affinity DataKi:  0.370nMAssay Description:Any of a number of standard assays for determining epoxide hydrolase activity can be used to determine inhibition of sEH. For example, suitable assay...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid