Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50194504
Substrate
n/a
Meas. Tech.
ChEMBL_444681 (CHEMBL894930)
IC50
1.7±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:
BDBM50194504
Synonyms:
1-adamantan-1-yl-3-[4-(2,6-difluoro-benzyloxy)-cyclohexyl]-urea | CHEMBL376647 | trans-1-adamantan-1-yl-3-[4-(2,6-difluorobenzyloxy)cyclohexyl]-urea
Type:
Small organic molecule
Emp. Form.:
C24H32F2N2O2
Mol. Mass.:
418.5199
SMILES:
Fc1cccc(F)c1CO[C@H]1CC[C@@H](CC1)NC(=O)NC12CC3CC(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,(11.93,-7.54,;13.47,-7.54,;14.61,-8.57,;16.08,-8.09,;16.39,-6.58,;15.25,-5.55,;15.51,-4.03,;13.79,-6.03,;12.65,-5,;12.97,-3.5,;11.82,-2.47,;10.36,-2.94,;9.21,-1.92,;9.54,-.41,;10.99,.08,;12.14,-.96,;8.39,.62,;6.93,.13,;5.78,1.16,;6.61,-1.37,;5.15,-1.85,;4.2,-3.18,;2.77,-2.69,;1.29,-3.19,;2.43,-1.85,;2.34,-.36,;3.67,.17,;2.69,-1.1,;5.09,-.33,;3.78,-2.27,)|
Structure:
Search PDB for entries with ligand similarity: