Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) with Target = 'Epoxide hydrolase' and Ligand = 'BDBM100423'
TargetEpoxide hydrolase(Ovis aries (Sheep))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM100423(US10383835, Compound 1153 | US11123311, Compound A...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C18H29N3O2/c1-12(22)21-4-2-16(3-5-21)19-17(23)20-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,2-11H2,1H3,(H2,19,20,23)
Affinity DataIC50: 67nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair
TargetEpoxide hydrolase(Equus caballus (Horse))
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

US Patent
LigandPNGBDBM100423(US10383835, Compound 1153 | US11123311, Compound A...)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C18H29N3O2/c1-12(22)21-4-2-16(3-5-21)19-17(23)20-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,2-11H2,1H3,(H2,19,20,23)
Affinity DataIC50: 121nMAssay Description:The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a ...More data for this Ligand-Target Pair