Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Bifunctional epoxide hydrolase 2' and Ligand = 'BDBM25739'
TargetBifunctional epoxide hydrolase 2(Sus scrofa (Pig))
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US Patent
LigandPNGBDBM25739(4-({4-[(adamantan-1-ylcarbamoyl)amino]cyclohexyl}o...)
Show SMILES OC(=O)c1ccc(OC2CCC(CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C24H32N2O4/c27-22(28)18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)25-23(29)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H,27,28)(H2,25,26,29)
Affinity DataIC50: 8nMAssay 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