Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50191854
Substrate
n/a
Meas. Tech.
ChEMBL_1898248 (CHEMBL4400283)
IC50
3.0±n/a nM
Citation
Codony, S; Valverde, E; Leiva, R; Brea, J; Isabel Loza, M; Morisseau, C; Hammock, BD; Vázquez, S Exploring the size of the lipophilic unit of the soluble epoxide hydrolase inhibitors. Bioorg Med Chem 27:0 (2019) [PubMed] Article
More Info.:
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:
BDBM50191854
Synonyms:
CHEMBL436774 | N-(1-acetyl-piperidin-4-yl)-N'-(adamantan-1-yl)urea | N-(1-acetylpiperidin-4-yl)-N'-(adamant-1-yl)urea
Type:
Small organic molecule
Emp. Form.:
C18H29N3O2
Mol. Mass.:
319.4418
SMILES:
CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:12:13:16.15.20:18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13,12:13:16:20.19.18|