Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50217476
Substrate
n/a
Meas. Tech.
ChEMBL_444681 (CHEMBL894930)
IC50
2.7±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:
BDBM50217476
Synonyms:
CHEMBL242900 | trans-1-adamantan-1-yl-3-[4-(2-chlorobenzyloxy)cyclohexyl]-urea
Type:
Small organic molecule
Emp. Form.:
C24H33ClN2O2
Mol. Mass.:
416.984
SMILES:
Clc1ccccc1CO[C@H]1CC[C@@H](CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |wU:9.9,wD:12.16,TLB:18:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,18:19:22:26.25.24,(17.27,-45.05,;16.46,-43.74,;17.18,-42.39,;16.37,-41.08,;14.83,-41.13,;14.1,-42.49,;14.92,-43.79,;14.2,-45.15,;12.66,-45.21,;11.94,-46.57,;12.76,-47.87,;12.04,-49.23,;10.49,-49.28,;9.67,-47.99,;10.4,-46.63,;9.78,-50.65,;8.24,-50.71,;7.42,-49.41,;7.52,-52.07,;5.98,-52.13,;4.97,-53.41,;3.56,-52.85,;2.06,-53.27,;3.26,-51.99,;3.25,-50.5,;4.6,-50.03,;3.56,-51.26,;6,-50.61,;4.58,-52.48,)|
Structure:
Search PDB for entries with ligand similarity: