Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM25733
Substrate
n/a
Meas. Tech.
ChEMBL_763895 (CHEMBL1819920)
IC50
1.2±n/a nM
Citation
 Brown, JR; North, EJ; Hurdle, JG; Morisseau, C; Scarborough, JS; Sun, D; Korduláková, J; Scherman, MS; Jones, V; Grzegorzewicz, A; Crew, RM; Jackson, M; McNeil, MR; Lee, RE The structure-activity relationship of urea derivatives as anti-tuberculosis agents. Bioorg Med Chem 19:5585-95 (2011) [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:
BDBM25733
Synonyms:
CHEMBL476614 | Urea-based compound, 14 | methyl 4-[(adamantan-1-ylcarbamoyl)amino]-2-hydroxybenzoate
Type:
Small organic molecule
Emp. Form.:
C19H24N2O4
Mol. Mass.:
344.4049
SMILES:
COC(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1O |TLB:19:14:21:18.17.20,THB:13:14:17:21.20.12|
Structure:
Search PDB for entries with ligand similarity: