Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50066843
Substrate
n/a
Meas. Tech.
ChEMBL_1465995 (CHEMBL3406977)
IC50
0.200000±n/a nM
Citation
 Takai, K; Chiyo, N; Nakajima, T; Nariai, T; Ishikawa, C; Nakatani, S; Ikeno, A; Yamamoto, S; Sone, T Three-dimensional rational approach to the discovery of potent substituted cyclopropyl urea soluble epoxide hydrolase inhibitors. Bioorg Med Chem Lett 25:1705-8 (2015) [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:
BDBM50066843
Synonyms:
CHEMBL3401636
Type:
Small organic molecule
Emp. Form.:
C21H24N2O
Mol. Mass.:
320.4281
SMILES:
O=C(N[C@H]1[C@@H]([C@@H]1c1ccccc1)c1ccccc1)N1CCCCC1 |r|
Structure:
Search PDB for entries with ligand similarity: