Reaction Details Report a problem with these data
Target
Epoxide hydrolase 1
Ligand
BDBM50184991
Substrate
n/a
Meas. Tech.
ChEMBL_1588272 (CHEMBL3825937)
IC50
97800±n/a nM
Citation
 Kitamura, S; Hvorecny, KL; Niu, J; Hammock, BD; Madden, DR; Morisseau, C Rational Design of Potent and Selective Inhibitors of an Epoxide Hydrolase Virulence Factor from Pseudomonas aeruginosa. J Med Chem 59:4790-9 (2016) [PubMed]  Article 
Target
Name:
Epoxide hydrolase 1
Synonyms:
EPHX | EPHX1 | EPOX | Epoxide hydrolase (EH) | Epoxide hydrolase (HsEH) | Epoxide hydrolase 1 | HYEP_HUMAN | Microsomal epoxide hydrolase
Type:
Protein
Mol. Mass.:
52954.28
Organism:
Homo sapiens (Human)
Description:
P07099
Residue:
455
Sequence:
MWLEILLTSVLGFAIYWFISRDKEETLPLEDGWWGPGTRSAAREDDSIRPFKVETSDEEIHDLHQRIDKFRFTPPLEDSCFHYGFNSNYLKKVISYWRNEFDWKKQVEILNRYPHFKTKIEGLDIHFIHVKPPQLPAGHTPKPLLMVHGWPGSFYEFYKIIPLLTDPKNHGLSDEHVFEVICPSIPGYGFSEASSKKGFNSVATARIFYKLMLRLGFQEFYIQGGDWGSLICTNMAQLVPSHVKGLHLNMALVLSNFSTLTLLLGQRFGRFLGLTERDVELLYPVKEKVFYSLMRESGYMHIQCTKPDTVGSALNDSPVGLAAYILEKFSTWTNTEFRYLEDGGLERKFSLDDLLTNVMLYWTTGTIISSQRFYKENLGQGWMTQKHERMKVYVPTGFSAFPFELLHTPEKWVRFKYPKLISYSYMVRGGHFAAFEEPELLAQDIRKFLSVLERQ
  
Inhibitor
Name:
BDBM50184991
Synonyms:
CHEMBL3824048
Type:
Small organic molecule
Emp. Form.:
C23H19Cl2NO4
Mol. Mass.:
444.307
SMILES:
CCC(=O)Nc1cc(Cl)c(Oc2ccc(O)c(c2)-c2ccc(cc2)C(C)=O)c(Cl)c1
Structure:
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