Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50009073
Substrate
n/a
Meas. Tech.
ChEMBL_1785244 (CHEMBL4256761)
IC50
2000±n/a nM
Citation
 Schierle, S; Flauaus, C; Heitel, P; Willems, S; Schmidt, J; Kaiser, A; Weizel, L; Goebel, T; Kahnt, AS; Geisslinger, G; Steinhilber, D; Wurglics, M; Rovati, GE; Schmidtko, A; Proschak, E; Merk, D Boosting Anti-Inflammatory Potency of Zafirlukast by Designed Polypharmacology. J Med Chem 61:5758-5764 (2018) [PubMed]  Article 
Target
Name:
Bifunctional epoxide hydrolase 2
Synonyms:
Soluble epoxide hydrolase (sEH) | epoxide hydrolase 2, cytoplasmic | Cytosolic epoxide hydrolase 2 | Lipid-phosphate phosphatase | HYES_HUMAN | EPHX2 | EBifunctional epoxide hydrolase 2 | Epoxide hydratase
Type:
Enzyme
Mol. Mass.:
62613.07
Organism:
Human
Description:
P34913
Residue:
555
Sequence:
MTLRAAVFDLDGVLALPAVFGVLGRTEEALALPRGLLNDAFQKGGPEGATTRLMKGEITLSQWIPLMEENCRKCSETAKVCLPKNFSIKEIFDKAISARKINRPMLQAALMLRKKGFTTAILTNTWLDDRAERDGLAQLMCELKMHFDFLIESCQVGMVKPEPQIYKFLLDTLKASPSEVVFLDDIGANLKPARDLGMVTILVQDTDTALKELEKVTGIQLLNTPAPLPTSCNPSDMSHGYVTVKPRVRLHFVELGSGPAVCLCHGFPESWYSWRYQIPALAQAGYRVLAMDMKGYGESSAPPEIEEYCMEVLCKEMVTFLDKLGLSQAVFIGHDWGGMLVWYMALFYPERVRAVASLNTPFIPANPNMSPLESIKANPVFDYQLYFQEPGVAEAELEQNLSRTFKSLFRASDESVLSMHKVCEAGGLFVNSPEEPSLSRMVTEEEIQFYVQQFKKSGFRGPLNWYRNMERNWKWACKSLGRKILIPALMVTAEKDFVLVPQMSQHMEDWIPHLKRGHIEDCGHWTQMDKPTEVNQILIKWLDSDARNPPVVSKM
  
Inhibitor
Name:
BDBM50009073
Synonyms:
cyclopentyl 3-(2-methoxy-4-((o-tolylsulfonyl)carbamoyl)benzyl)-1-methylindole-5-carbamate | CHEMBL603 | 4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol-3-ylmethyl)-3-methoxy-N-o-tolylsulfonylbenzamide | cyclopentyl 3-[2-methoxy-4-(2-methylphenylsulfonylcarbamoyl)benzyl]-1-methyl-1H-indol-5-ylcarbamate | ZAFIRLUKAST
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
Cc1ccccc1S(=O)(=O)NC(=O)c2ccc(c(c2)OC)Cc3cn(c4c3cc(cc4)NC(=O)OC5CCCC5)C
Structure:
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