Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50351235
Substrate
n/a
Meas. Tech.
ChEMBL_763895 (CHEMBL1819920)
IC50
4.5±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:
BDBM50351235
Synonyms:
CHEMBL1818397
Type:
Small organic molecule
Emp. Form.:
C18H23ClN2O
Mol. Mass.:
318.841
SMILES:
Cc1c(Cl)cccc1NC(=O)NC1C2CC3CC(C2)CC1C3 |TLB:21:20:18:14.15.16,THB:11:12:18:14.15.16,21:15:12.20.19:18,16:15:12:19.17.18,16:17:12:14.21.15,(11.42,-36.57,;11.42,-35.03,;10.08,-34.26,;8.75,-35.03,;10.09,-32.71,;11.41,-31.94,;12.75,-32.71,;12.75,-34.26,;14.09,-35.02,;15.42,-34.25,;15.42,-32.71,;16.76,-35.02,;18.09,-34.25,;19.29,-32.97,;20.61,-33.46,;22,-33.12,;22.02,-31.59,;20.62,-31.01,;19.28,-31.49,;19.58,-32.24,;19.58,-33.83,;21,-34.39,)|
Structure:
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