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Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50591335
Substrate
n/a
Meas. Tech.
ChEMBL_2200059 (CHEMBL5112575)
IC50
1.1±n/a nM
Citation
 Codony, S; Entrena, JM; Calvó-Tusell, C; Jora, B; González-Cano, R; Osuna, S; Corpas, R; Morisseau, C; Pérez, B; Barniol-Xicota, M; Griñán-Ferré, C; Pérez, C; Rodríguez-Franco, MI; Martínez, AL; Loza, MI; Pallàs, M; Verhelst, SHL; Sanfeliu, C; Feixas, F; Hammock, BD; Brea, J; Cobos, EJ; Vázquez, S Synthesis, In Vitro Profiling, and In Vivo Evaluation of Benzohomoadamantane-Based Ureas for Visceral Pain: A New Indication for Soluble Epoxide Hydrolase Inhibitors. J Med Chem 65:13660-13680 (2022) [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:
BDBM50591335
Synonyms:
CHEMBL5179500
Type:
Small organic molecule
Emp. Form.:
C24H34ClN3O3S
Mol. Mass.:
480.063
SMILES:
CC(C)S(=O)(=O)N1CCC(CC1)NC(=O)NC12CC3CC(Cl)(CC(C1)c1ccccc31)C2 |TLB:30:18:23.24.22:31,25:23:18.19.17:31,26:25:24:20.22.31,21:20:24:30.25.18.17,THB:19:18:24:20.22.31,19:20:24:30.25.18.17|
Structure:
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