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Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50444539
Substrate
n/a
Meas. Tech.
ChEMBL_1281542 (CHEMBL3102108)
IC50
57000±n/a nM
Citation
 Achenbach, J; Klingler, FM; Blöcher, R; Moser, D; Häfner, AK; Rödl, CB; Kretschmer, S; Krüger, B; Löhr, F; Stark, H; Hofmann, B; Steinhilber, D; Proschak, E Exploring the chemical space of multitarget ligands using aligned self-organizing maps. ACS Med Chem Lett 4:1169-72 (2013) [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:
BDBM50444539
Synonyms:
CHEMBL3099593
Type:
Small organic molecule
Emp. Form.:
C11H16N4O2
Mol. Mass.:
236.2703
SMILES:
CCCCNC(=O)Nc1ccc(cn1)C(N)=O
Structure:
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