Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50217449
Substrate
n/a
Meas. Tech.
ChEMBL_444681 (CHEMBL894930)
IC50
1.6±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:
BDBM50217449
Synonyms:
CHEMBL395989 | trans-1-adamantan-1-yl-3-[4-(2-methylbenzyloxy)cyclohexyl]-urea
Type:
Small organic molecule
Emp. Form.:
C25H36N2O2
Mol. Mass.:
396.5655
SMILES:
Cc1ccccc1CO[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,(3.94,-45.89,;3.12,-44.59,;3.84,-43.23,;3.03,-41.92,;1.49,-41.97,;.76,-43.34,;1.58,-44.64,;.86,-46,;-.68,-46.05,;-1.4,-47.41,;-.58,-48.72,;-1.3,-50.08,;-2.84,-50.13,;-3.66,-48.84,;-2.94,-47.47,;-3.56,-51.49,;-5.1,-51.56,;-5.92,-50.25,;-5.82,-52.92,;-7.35,-52.98,;-8.37,-54.26,;-9.78,-53.69,;-11.27,-54.11,;-10.08,-52.84,;-10.09,-51.35,;-8.74,-50.88,;-9.78,-52.11,;-7.34,-51.45,;-8.75,-53.33,)|
Structure:
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