Reaction Details Report a problem with these data
Target
Epoxide hydrolase
Ligand
BDBM25739
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
10.00±n/a nM
Citation
 Guedes, AG; Hammock, BD; Morisseau, C Treatment of inflammatory disorders in non-human mammals US Patent  US10383835 Publication Date 8/20/2019 
Target
Name:
Epoxide hydrolase
Synonyms:
EPHX1
Type:
Enzyme
Mol. Mass.:
48577.06
Organism:
Equus caballus (Horse)
Description:
A0A5F5PR84
Residue:
462
Sequence:
MMTSLRVMWLEILLTSVLGFVIYWFVSRDKEETLPLEDGWWGPGSRPTGREDESIRPFKVETSDEEINDLHQRIDKARLTPPLEDSRFHYGFNSNYLKQIVSYWRNEFDWKKQVEILNRYPHFKTKIEGLDIHFIHVKPPQLPSGRTPKPLLMVHGWPGSFYEFYKIIPFLTDPKSHGLGDEHVFEVICPCIPGYGFSEASSKKGFNTVATARIFYKLMLRLGFQEFYVQGGDWGALICTNIAQLVPSHVKGLHLNMAFVLRSFYTLTLPLGRHFAGLFGYTHKDVELMYPFKEKIFYSLMRESGYMHIQATKPDTVGCALNDSPVGLAAYILEKFSTWTKSEFRDLEDGGLERKFSLDDLLTNIMLYWTTGSITSSQRFYKENLGQGYMAHKHERMKVYVPTGFAAFPCELLHAPENWVKFKYPKLISYSYMPRGGHFAAFEEPQLLAQDIRKFVGLLERQ
  
Inhibitor
Name:
BDBM25739
Synonyms:
4-({4-[(adamantan-1-ylcarbamoyl)amino]cyclohexyl}oxy)benzoic acid | US10383835, Compound 1471 | Urea-based compound, 20 | Urea-based compound, 21
Type:
Small organic molecule
Emp. Form.:
C24H32N2O4
Mol. Mass.:
412.5219
SMILES:
OC(=O)c1ccc(OC2CCC(CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27,(14.72,-2.13,;14.72,-.59,;16.06,.18,;13.39,.18,;13.39,1.72,;12.06,2.49,;10.72,1.72,;9.24,2.11,;7.9,1.34,;6.86,2.47,;5.01,1.58,;3.75,1.86,;4.78,.7,;6.61,1.63,;2.42,1.09,;1.08,1.86,;1.08,3.4,;-.25,1.08,;-1.58,1.85,;-1.14,3.3,;-2.2,4.45,;-3.36,3.57,;-3.92,1.7,;-5.24,1.54,;-4.25,2.53,;-3.76,4.14,;-3.03,1.56,;-2.63,.75,;10.72,.18,;12.06,-.59,)|
Structure:
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