Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50446754
Substrate
n/a
Meas. Tech.
ChEMBL_1288411 (CHEMBL3118263)
IC50
4.1±n/a nM
Citation
 Takai, K; Nakajima, T; Takanashi, Y; Sone, T; Nariai, T; Chiyo, N; Nakatani, S; Ishikawa, C; Yamaguchi, N; Fujita, K; Yamada, K Structure-based optimization of cyclopropyl urea derivatives as potent soluble epoxide hydrolase inhibitors for potential decrease of renal injury without hypotensive action. Bioorg Med Chem 22:1548-57 (2014) [PubMed]  Article 
Target
Name:
Bifunctional epoxide hydrolase 2
Synonyms:
Ephx2 | Epoxide hydrolase 2 | HYES_RAT
Type:
PROTEIN
Mol. Mass.:
62337.15
Organism:
Rattus norvegicus
Description:
ChEMBL_1465995
Residue:
554
Sequence:
MALRVAAFDLDGVLALPSIAGVLRHTEEALALPRDFLLGAFQMKFPEGPTEQLMKGKITFSQWVPLMDESCRKSSKACGASLPENFSISEIFSQAMAARSINRPMLQAAAALKKKGFTTCIVTNNWLDDSDKRDILAQMMCELSQHFDFLIESCQVGMIKPEPQIYKFVLDTLKAKPNEVVFLDDFGSNLKPARDMGMVTILVRDTASALRELEKVTGTQFPEAPLPVPCSPNDVSHGYVTVKPGIRLHFVEMGSGPAICLCHGFPESWFSWRYQIPALAQAGFRVLAIDMKGYGDSSSPPEIEEYAMELLCEEMVTFLNKLGIPQAVFIGHDWAGVLVWNMALFHPERVRAVASLNTPLMPPNPEVSPMEVIRSIPVFNYQLYFQEPGVAEAELEKNMSRTFKSFFRTSDDMGLLTVNKATEMGGILVGTPEDPKVSKITTEEEIEYYIQQFKKSGFRGPLNWYRNTERNWKWSCKALGRKILVPALMVTAEKDIVLRPEMSKNMENWIPFLKRGHIEDCGHWTQIEKPAEVNQILIKWLKTEIQNPSVTSKI
  
Inhibitor
Name:
BDBM50446754
Synonyms:
CHEMBL3114609
Type:
Small organic molecule
Emp. Form.:
C22H23ClN2O4
Mol. Mass.:
414.882
SMILES:
OC(=O)c1ccc(OC2CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)c(Cl)c1 |r|
Structure:
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