Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50100519
Substrate
n/a
Meas. Tech.
ChEMBL_1456719 (CHEMBL3371009)
IC50
<1.3±n/a nM
Citation
 Lee, KS; Liu, JY; Wagner, KM; Pakhomova, S; Dong, H; Morisseau, C; Fu, SH; Yang, J; Wang, P; Ulu, A; Mate, CA; Nguyen, LV; Hwang, SH; Edin, ML; Mara, AA; Wulff, H; Newcomer, ME; Zeldin, DC; Hammock, BD Optimized inhibitors of soluble epoxide hydrolase improve in vitro target residence time and in vivo efficacy. J Med Chem 57:7016-30 (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:
BDBM50100519
Synonyms:
CHEMBL3327067 | US10377744, Compound No. 2391
Type:
Small organic molecule
Emp. Form.:
C18H24F3N3O2
Mol. Mass.:
371.3973
SMILES:
CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F |r|
Structure:
Search PDB for entries with ligand similarity: