Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50217440
Substrate
n/a
Meas. Tech.
ChEMBL_444681 (CHEMBL894930)
IC50
1.5±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:
BDBM50217440
Synonyms:
CHEMBL242025 | cis-1-adamantan-1-yl-3-[4-(2,6-dichlorobenzyloxy)cyclohexyl]-urea
Type:
Small organic molecule
Emp. Form.:
C24H32Cl2N2O2
Mol. Mass.:
451.429
SMILES:
Clc1cccc(Cl)c1CO[C@@H]1CC[C@@H](CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |wU:13.17,10.10,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,(33.42,-46.78,;32.61,-45.47,;33.33,-44.12,;32.52,-42.81,;30.97,-42.86,;30.24,-44.22,;28.71,-44.28,;31.07,-45.52,;30.35,-46.88,;28.81,-46.94,;28.09,-48.3,;26.54,-48.36,;25.82,-49.72,;26.64,-51.01,;28.19,-50.96,;28.9,-49.6,;25.92,-52.38,;24.38,-52.44,;23.56,-51.14,;23.67,-53.8,;22.13,-53.86,;21.12,-55.14,;19.71,-54.58,;18.21,-55,;19.41,-53.72,;19.4,-52.23,;20.74,-51.76,;19.7,-52.99,;22.14,-52.34,;20.73,-54.21,)|
Structure:
Search PDB for entries with ligand similarity: