Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50217446
Substrate
n/a
Meas. Tech.
ChEMBL_444681 (CHEMBL894930)
IC50
0.82±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:
BDBM50217446
Synonyms:
CHEMBL396546 | cis-1-adamantan-1-yl-3-[4-(3,5-difluorophenoxy)cyclohexyl]-urea
Type:
Small organic molecule
Emp. Form.:
C23H30F2N2O2
Mol. Mass.:
404.4933
SMILES:
Fc1cc(F)cc(O[C@@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 |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,(4.84,-26.81,;4.03,-25.5,;4.75,-24.14,;3.92,-22.83,;4.64,-21.47,;2.39,-22.89,;1.67,-24.25,;.14,-24.31,;-.59,-25.67,;-2.13,-25.72,;-2.85,-27.09,;-2.03,-28.38,;-.49,-28.33,;.23,-26.97,;-2.75,-29.75,;-4.29,-29.81,;-5.11,-28.51,;-5,-31.17,;-6.54,-31.23,;-7.56,-32.51,;-8.96,-31.95,;-10.46,-32.37,;-9.27,-31.09,;-9.27,-29.6,;-7.93,-29.13,;-8.97,-30.36,;-6.53,-29.71,;-7.94,-31.58,;2.49,-25.56,)|
Structure:
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