Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50217441
Substrate
n/a
Meas. Tech.
ChEMBL_444681 (CHEMBL894930)
IC50
3.5±n/a nM
Citation
 Hwang, SH; Tsai, HJ; Liu, JY; Morisseau, C; Hammock, BD Orally bioavailable potent soluble epoxide hydrolase inhibitors. J Med Chem 50:3825-40 (2007) [PubMed]  Article 
Target
Name:
Bifunctional epoxide hydrolase 2
Synonyms:
Cytosolic epoxide hydrolase 2 | EBifunctional epoxide hydrolase 2 | EPHX2 | Epoxide hydratase | HYES_HUMAN | Lipid-phosphate phosphatase | Soluble epoxide hydrolase (sEH) | epoxide hydrolase 2, cytoplasmic
Type:
Enzyme
Mol. Mass.:
62613.07
Organism:
Homo sapiens (Human)
Description:
P34913
Residue:
555
Sequence:
MTLRAAVFDLDGVLALPAVFGVLGRTEEALALPRGLLNDAFQKGGPEGATTRLMKGEITLSQWIPLMEENCRKCSETAKVCLPKNFSIKEIFDKAISARKINRPMLQAALMLRKKGFTTAILTNTWLDDRAERDGLAQLMCELKMHFDFLIESCQVGMVKPEPQIYKFLLDTLKASPSEVVFLDDIGANLKPARDLGMVTILVQDTDTALKELEKVTGIQLLNTPAPLPTSCNPSDMSHGYVTVKPRVRLHFVELGSGPAVCLCHGFPESWYSWRYQIPALAQAGYRVLAMDMKGYGESSAPPEIEEYCMEVLCKEMVTFLDKLGLSQAVFIGHDWGGMLVWYMALFYPERVRAVASLNTPFIPANPNMSPLESIKANPVFDYQLYFQEPGVAEAELEQNLSRTFKSLFRASDESVLSMHKVCEAGGLFVNSPEEPSLSRMVTEEEIQFYVQQFKKSGFRGPLNWYRNMERNWKWACKSLGRKILIPALMVTAEKDFVLVPQMSQHMEDWIPHLKRGHIEDCGHWTQMDKPTEVNQILIKWLDSDARNPPVVSKM
  
Inhibitor
Name:
BDBM50217441
Synonyms:
CHEMBL245225 | trans-2-adamantan-1-yl-N-[4-(2,6-difluorobenzyloxy)cyclohexyl]-acetamide
Type:
Small organic molecule
Emp. Form.:
C25H33F2NO2
Mol. Mass.:
417.5318
SMILES:
Fc1cccc(F)c1CO[C@H]1CC[C@@H](CC1)NC(=O)CC12CC3CC(CC(C3)C1)C2 |wU:10.10,wD:13.17,TLB:19:20:23.22.27:25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20,19:20:23:27.26.25,(22.93,-9.7,;22.12,-8.39,;22.84,-7.03,;22.02,-5.72,;20.47,-5.78,;19.76,-7.14,;18.22,-7.2,;20.58,-8.44,;19.86,-9.8,;18.32,-9.86,;17.59,-11.22,;18.41,-12.52,;17.7,-13.88,;16.15,-13.93,;15.33,-12.63,;16.05,-11.28,;15.43,-15.29,;13.89,-15.36,;13.07,-14.05,;13.18,-16.72,;11.64,-16.78,;10.62,-18.06,;9.21,-17.5,;7.71,-17.92,;8.91,-16.64,;8.91,-15.15,;10.25,-14.68,;9.21,-15.91,;11.65,-15.25,;10.24,-17.13,)|
Structure:
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