Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50268380
Substrate
n/a
Meas. Tech.
ChEMBL_523916 (CHEMBL1001509)
IC50
9.00±n/a nM
Citation
Shen, HC; Ding, FX; Wang, S; Xu, S; Chen, HS; Tong, X; Tong, V; Mitra, K; Kumar, S; Zhang, X; Chen, Y; Zhou, G; Pai, LY; Alonso-Galicia, M; Chen, X; Zhang, B; Tata, JR; Berger, JP; Colletti, SL Discovery of spirocyclic secondary amine-derived tertiary ureas as highly potent, selective and bioavailable soluble epoxide hydrolase inhibitors. Bioorg Med Chem Lett 19:3398-404 (2009) [PubMed] Article
More Info.:
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:
BDBM50268380
Synonyms:
(+/-)-4-oxo-N-((tans)-2-phenylcyclopropyl)spiro[chroman-2,4'-piperidine]-1'-carboxamide | 4-oxo-N-((tans)-2-phenylcyclopropyl)spiro[chroman-2,4'-piperidine]-1'-carboxamide | 4-oxo-N-((trans)-2-phenylcyclopropyl)spiro[chroman-2,4'-piperidine]-1'-carboxamide | CHEMBL496189
Type:
Small organic molecule
Emp. Form.:
C23H24N2O3
Mol. Mass.:
376.4483
SMILES:
O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CC(=O)c1ccccc1O2 |r|