Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50217469
Substrate
n/a
Meas. Tech.
ChEMBL_444681 (CHEMBL894930)
IC50
0.72±n/a nM
Citation
 Hwang, SH; Tsai, HJ; Liu, JY; Morisseau, C; Hammock, BD Orally bioavailable potent soluble epoxide hydrolase inhibitors. J Med Chem 50:3825-40 (2007) [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:
BDBM50217469
Synonyms:
CHEMBL244193 | cis-1-adamantan-1-yl-3-[4-(4-nitrophenoxy)cyclohexyl]urea
Type:
Small organic molecule
Emp. Form.:
C23H31N3O4
Mol. Mass.:
413.5099
SMILES:
[O-][N+](=O)c1ccc(O[C@@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |wU:11.14,8.7,TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23,(18.33,-12.89,;17.51,-11.58,;18.23,-10.22,;15.97,-11.64,;15.24,-13,;13.71,-13.06,;12.89,-11.75,;11.35,-11.81,;10.63,-13.17,;9.09,-13.22,;8.37,-14.59,;9.18,-15.88,;10.73,-15.83,;11.45,-14.47,;8.47,-17.25,;6.93,-17.31,;6.11,-16.01,;6.21,-18.67,;4.67,-18.73,;3.66,-20.01,;2.25,-19.45,;.76,-19.87,;1.95,-18.59,;1.94,-17.1,;3.29,-16.63,;2.25,-17.86,;4.69,-17.21,;3.28,-19.08,;13.61,-10.39,;15.14,-10.33,)|
Structure:
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