Reaction Details Report a problem with these data
Target
Bifunctional epoxide hydrolase 2
Ligand
BDBM50525802
Substrate
n/a
Meas. Tech.
ChEMBL_1898248 (CHEMBL4400283)
IC50
5.0±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 
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:
BDBM50525802
Synonyms:
CHEMBL4530604
Type:
Small organic molecule
Emp. Form.:
C22H33N3O2
Mol. Mass.:
371.5163
SMILES:
CC(=O)N1CCC(CC1)NC(=O)NC1C2CC3C4CC5CC3C1C(C5)C4C2 |TLB:20:21:17:15.14.26,20:21:25:18.19.24,20:19:25:16.21.22,24:23:17:15.14.26,24:23:17.16.21:14.26.13,24:23:17.16.15:26,21:16:26:23.22.13,21:22:17.16.15:26,26:25:18:16.21.20,18:17:23.21.22:15.14.26,18:17:26:23.22.13,THB:22:23:18:16.21.20,22:21:18:25.23.24,15:16:25:18.19.24,15:16:25.23.22:18.20.19,15:16:18:25.23.24,13:22:17:15.14.26,13:14:17:23.21.22,13:22:25:18.19.24,12:13:17.16.15:26,(78.42,-17.75,;77.08,-18.52,;77.08,-20.06,;75.75,-17.74,;74.41,-18.5,;73.08,-17.73,;73.1,-16.2,;74.42,-15.42,;75.75,-16.2,;71.76,-15.43,;70.43,-16.2,;70.43,-17.74,;69.09,-15.43,;67.76,-16.2,;66.36,-15.62,;65.32,-16.86,;65.32,-18.44,;63.83,-18.86,;63.81,-20.4,;65.14,-21.17,;66.72,-20.54,;66.73,-19.01,;67.74,-17.73,;66.34,-18.08,;66.35,-19.76,;65.02,-17.59,;65.02,-16.1,)|
Structure:
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