Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50351215
Substrate
n/a
Meas. Tech.
ChEMBL_763895 (CHEMBL1819920)
IC50
14.3±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:
BDBM50351215
Synonyms:
CHEMBL1818415
Type:
Small organic molecule
Emp. Form.:
C18H24N2O2
Mol. Mass.:
300.3954
SMILES:
COc1ccc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1 |TLB:19:18:16:12.13.14,THB:19:13:10.18.17:16,14:13:10:17.15.16,14:15:10:12.19.13,9:10:16:12.13.14,(23.71,-37.59,;25.04,-36.81,;26.38,-37.58,;27.72,-36.81,;29.05,-37.58,;29.04,-39.13,;30.38,-39.9,;31.71,-39.13,;31.71,-37.59,;33.05,-39.9,;34.38,-39.13,;35.58,-37.84,;36.91,-38.33,;38.31,-37.99,;38.33,-36.45,;36.92,-35.87,;35.57,-36.35,;35.88,-37.11,;35.88,-38.71,;37.31,-39.27,;27.72,-39.9,;26.38,-39.13,)|
Structure:
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