Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50217472
Substrate
n/a
Meas. Tech.
ChEMBL_444681 (CHEMBL894930)
IC50
2.5±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:
BDBM50217472
Synonyms:
1-adamantan-1-yl-3-[4-(4-fluorobenzyl)cyclohexyl]urea | CHEMBL243522
Type:
Small organic molecule
Emp. Form.:
C24H33FN2O
Mol. Mass.:
384.53
SMILES:
Fc1ccc(CC2CCC(CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21,(35.36,-29.17,;33.82,-29.23,;33.11,-30.59,;31.57,-30.65,;30.75,-29.34,;29.21,-29.4,;28.49,-30.76,;29.31,-32.07,;28.59,-33.42,;27.05,-33.47,;26.22,-32.18,;26.95,-30.82,;26.33,-34.83,;24.79,-34.89,;23.97,-33.6,;24.07,-36.26,;22.53,-36.32,;21.52,-37.6,;20.12,-37.04,;18.62,-37.46,;19.81,-36.18,;19.8,-34.69,;21.15,-34.22,;20.11,-35.45,;22.55,-34.79,;21.14,-36.67,;31.47,-27.98,;33,-27.92,)|
Structure:
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