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Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50591345
Substrate
n/a
Meas. Tech.
ChEMBL_2200059 (CHEMBL5112575)
IC50
0.400000±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:
BDBM50591345
Synonyms:
CHEMBL5196519
Type:
Small organic molecule
Emp. Form.:
C29H36ClN5O2
Mol. Mass.:
522.081
SMILES:
ClC12CC3CC(CC(C1)c1ccccc31)(C2)NC(=O)NC1CCN(CC1)C(=O)CCC1(CCC#C)N=N1 |c:40,TLB:14:3:7.6.8:15,9:7:3.2.4:15,10:9:6:1.8.15,0:1:6:14.9.3.4,THB:2:3:6:1.8.15,2:1:6:14.9.3.4|
Structure:
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