Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50217462
Substrate
n/a
Meas. Tech.
ChEMBL_444681 (CHEMBL894930)
IC50
3.5±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:
BDBM50217462
Synonyms:
CHEMBL397693 | trans-1-adamantan-1-yl-3-[4-(2,6-difluoro-4-isopropoxybenzyloxy)cyclohexyl]urea
Type:
Small organic molecule
Emp. Form.:
C27H38F2N2O3
Mol. Mass.:
476.599
SMILES:
CC(C)Oc1cc(F)c(CO[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)c(F)c1 |wU:11.10,wD:14.17,TLB:20:21:24.23.28:26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21,20:21:24:28.27.26,(18.05,8.12,;17.33,6.76,;18.14,5.45,;15.79,6.71,;15.06,5.36,;15.87,4.05,;15.15,2.69,;15.97,1.39,;13.61,2.64,;12.89,1.28,;11.35,1.22,;10.63,-.14,;11.45,-1.44,;10.73,-2.8,;9.18,-2.85,;8.37,-1.56,;9.09,-.19,;8.47,-4.22,;6.93,-4.28,;6.11,-2.97,;6.21,-5.64,;4.67,-5.7,;3.66,-6.98,;2.25,-6.42,;.76,-6.84,;1.95,-5.56,;1.94,-4.07,;3.29,-3.6,;2.25,-4.83,;4.69,-4.17,;3.28,-6.05,;12.79,3.94,;11.25,3.89,;13.52,5.3,)|
Structure:
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