Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50333046
Substrate
n/a
Meas. Tech.
ChEMBL_690164 (CHEMBL1634184)
IC50
11.7±n/a nM
Citation
 Huang, SX; Li, HY; Liu, JY; Morisseau, C; Hammock, BD Incorporation of Piperazino Functionality into 1,3-Disubstituted Urea as the Tertiary Pharmacophore Affording Potent Inhibitors of Soluble Epoxide Hydrolase with Improved Pharmacokinetic Properties J Med Chem 53:8376-8386 (2010) [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:
BDBM50333046
Synonyms:
4-{5-[3-(3-Adamantan-1-yl-ureido)-phenoxy]-pentyl}-piperazine-1-carboxylic acid tert-butyl ester | CHEMBL1632480
Type:
Small organic molecule
Emp. Form.:
C31H48N4O4
Mol. Mass.:
540.7372
SMILES:
CC(C)(C)OC(=O)N1CCN(CCCCCOc2cccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)c2)CC1 |THB:25:26:29:33.31.32,34:32:29:35.26.27,34:26:29:33.31.32,31:30:27:33.32.34,31:32:29.30.35:27|
Structure:
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