Reaction Details Report a problem with these data
Target
Epoxide hydrolase 1
Ligand
BDBM129280
Substrate
n/a
Meas. Tech.
Activity Assay
IC50
50±n/a nM
Citation
 Hammock, BD; Zheng, J; Morisseau, C; Motoba, K; Moghaddam, MF; Borhan, B; Grant, DF; Greene, J; Sisemore, MF; Sanborn, J Inhibitors of epoxide hydrolases for the treatment of inflammation US Patent  US8815951 Publication Date 8/26/2014 
Target
Name:
Epoxide hydrolase 1
Synonyms:
Ephx1 | Epoxide hydrolase (HsEH) | Epoxide hydrolase (MsEH) | HYEP_MOUSE
Type:
Protein
Mol. Mass.:
52586.43
Organism:
Mus musculus (Mouse)
Description:
Q9D379
Residue:
455
Sequence:
MWLELILASVLGFVIYWFVSRDKEETLPLEDGWWGPGSKPSAKEDESIRPFKVETSDEEIKDLHQRIDRFRASPPLEGSRFHYGFNSSYLKKVVSFWRNEFDWRKQVEILNQYPHFKTKIEGLDIHFIHVKPPQLPSGRTPKPLLMVHGWPGSFYEFYKIIPLLTDPKTHGLSDEHVFEVICPSIPGYGFSEASSKKGLNSVATARIFYKLMSRLGFQKFYIQGGDWGSLICTNIAQMVPNHVKGLHLNMSFISRNIYSLTPLLGQRFGRFLGYTEKDLELLYPFKEKVFYNIMRESGYLHIQATKPDTVGCALNDSPVGLAAYILEKFSTWTKSEYRELEDGGLERKFSLEDLLTNIMIYWTTGTIVSSQRFYKENLGQGVMVHRHEGMKVFVPTGYSAFPSEILHAPEKWVKVKYPKLISYSYMERGGHFAAFEEPKLLAQDIRKFVSLAELQ
  
Inhibitor
Name:
BDBM129280
Synonyms:
US8815951, 358
Type:
Small organic molecule
Emp. Form.:
C19H32N2O
Mol. Mass.:
304.4702
SMILES:
CC(NC(=O)NC1CCCCC1)C1C2CC3CC(C2)CC1C3 |TLB:1:12:14:17.16.18,THB:19:17:14:12.20.21,19:20:14:17.16.18,1:12:17.19.18:14.15.21,16:17:12:14.15.21,16:15:12:17.19.18,(.95,1.54,;.95,,;-.38,-.77,;-1.71,,;-1.71,1.54,;-3.05,-.77,;-4.38,,;-4.38,1.54,;-5.71,2.31,;-7.05,1.54,;-7.05,,;-5.71,-.77,;2.29,-.77,;3.97,.44,;4.75,1.77,;6.29,1.75,;7.05,.42,;6.26,-.91,;4.73,-.9,;4.51,-2.11,;3.82,-.92,;5.05,1.13,)|
Structure:
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