Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50217439
Substrate
n/a
Meas. Tech.
ChEMBL_444681 (CHEMBL894930)
IC50
0.89±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:
BDBM50217439
Synonyms:
CHEMBL244405 | cis-4-[4-(3-adamantan-1-ylureido)cyclohexyloxy]benzoic acid
Type:
Small organic molecule
Emp. Form.:
C24H32N2O4
Mol. Mass.:
412.5219
SMILES:
OC(=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,(19.67,-26.54,;18.85,-25.24,;19.57,-23.88,;17.31,-25.3,;16.59,-26.66,;15.05,-26.71,;14.24,-25.41,;12.7,-25.46,;11.98,-26.82,;10.43,-26.88,;9.71,-28.25,;10.53,-29.54,;12.07,-29.49,;12.79,-28.13,;9.81,-30.9,;8.27,-30.96,;7.45,-29.66,;7.56,-32.33,;6.02,-32.39,;5.01,-33.67,;3.6,-33.1,;2.1,-33.52,;3.3,-32.25,;3.29,-30.76,;4.63,-30.29,;3.59,-31.52,;6.03,-30.86,;4.62,-32.74,;14.95,-24.05,;16.48,-23.99,)|
Structure:
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