Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50223377
Substrate
n/a
Meas. Tech.
ChEMBL_446700 (CHEMBL896996)
IC50
1.6±n/a nM
Citation
 Kim, IH; Tsai, HJ; Nishi, K; Kasagami, T; Morisseau, C; Hammock, BD 1,3-disubstituted ureas functionalized with ether groups are potent inhibitors of the soluble epoxide hydrolase with improved pharmacokinetic properties. J Med Chem 50:5217-26 (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:
BDBM50223377
Synonyms:
1-adamantan-1-yl-3-{4-[2-(2-ethoxyethoxy)ethoxy]cyclohexyl}urea | CHEMBL244068
Type:
Small organic molecule
Emp. Form.:
C23H40N2O4
Mol. Mass.:
408.5747
SMILES:
CCOCCOCCOC1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |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,(31.61,-36.54,;30.89,-37.9,;29.35,-37.96,;28.63,-39.32,;27.09,-39.37,;26.37,-40.73,;24.83,-40.79,;24.11,-42.15,;22.57,-42.21,;21.75,-40.9,;20.21,-40.95,;19.4,-39.66,;20.12,-38.3,;21.66,-38.23,;22.47,-39.54,;19.3,-37,;17.76,-37.06,;16.94,-35.76,;17.04,-38.43,;15.51,-38.49,;14.49,-39.76,;13.08,-39.2,;11.59,-39.62,;12.78,-38.35,;12.77,-36.86,;14.12,-36.38,;13.08,-37.61,;15.52,-36.96,;14.11,-38.83,)|
Structure:
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