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Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50196648
Substrate
n/a
Meas. Tech.
ChEMBL_432024 (CHEMBL918223)
IC50
50±n/a nM
Citation
 Kim, IH; Nishi, K; Tsai, HJ; Bradford, T; Koda, Y; Watanabe, T; Morisseau, C; Blanchfield, J; Toth, I; Hammock, BD Design of bioavailable derivatives of 12-(3-adamantan-1-yl-ureido)dodecanoic acid, a potent inhibitor of the soluble epoxide hydrolase. Bioorg Med Chem 15:312-23 (2006) [PubMed]  Article 
Target
Name:
Bifunctional epoxide hydrolase 2
Synonyms:
Eph2 | Ephx2 | Epoxide hydratase | HYES_MOUSE | Soluble epoxide hydrolase (sEH)
Type:
Enzyme
Mol. Mass.:
62512.06
Organism:
Mus musculus (Mouse)
Description:
P34914
Residue:
554
Sequence:
MALRVAAFDLDGVLALPSIAGAFRRSEEALALPRDFLLGAYQTEFPEGPTEQLMKGKITFSQWVPLMDESYRKSSKACGANLPENFSISQIFSQAMAARSINRPMLQAAIALKKKGFTTCIVTNNWLDDGDKRDSLAQMMCELSQHFDFLIESCQVGMIKPEPQIYNFLLDTLKAKPNEVVFLDDFGSNLKPARDMGMVTILVHNTASALRELEKVTGTQFPEAPLPVPCNPNDVSHGYVTVKPGIRLHFVEMGSGPALCLCHGFPESWFSWRYQIPALAQAGFRVLAIDMKGYGDSSSPPEIEEYAMELLCKEMVTFLDKLGIPQAVFIGHDWAGVMVWNMALFYPERVRAVASLNTPFMPPDPDVSPMKVIRSIPVFNYQLYFQEPGVAEAELEKNMSRTFKSFFRASDETGFIAVHKATEIGGILVNTPEDPNLSKITTEEEIEFYIQQFKKTGFRGPLNWYRNTERNWKWSCKGLGRKILVPALMVTAEKDIVLRPEMSKNMEKWIPFLKRGHIEDCGHWTQIEKPTEVNQILIKWLQTEVQNPSVTSKI
  
Inhibitor
Name:
BDBM50196648
Synonyms:
12-(3-adamantan-1-yl-ureido)-dodecanoic acid [((2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylcarbamoyl)-methyl]-amide | CHEMBL375113
Type:
Small organic molecule
Emp. Form.:
C31H54N4O8
Mol. Mass.:
610.7825
SMILES:
OC[C@@H]1O[C@H](NC(=O)CNC(=O)CCCCCCCCCCCNC(=O)NC23CC4CC(CC(C4)C2)C3)[C@@H](O)[C@H](O)[C@H]1O |TLB:26:27:30:34.33.32,THB:28:29:32:36.27.35,28:27:30.29.34:32,35:27:30:34.33.32,35:33:30:36.28.27|
Structure:
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