Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) for PDB: 3LPJ
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50317065(CHEMBL1097356 | N'-[(1S,2S)-2-[(2R)-4-benzylpipera...)
Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(Cc2ccccc2)CCN1
Show InChI InChI=1S/C35H44F2N4O3/c1-4-12-41(13-5-2)35(44)28-16-24(3)15-27(20-28)34(43)39-31(19-26-17-29(36)21-30(37)18-26)33(42)32-23-40(14-11-38-32)22-25-9-7-6-8-10-25/h6-10,15-18,20-21,31-33,38,42H,4-5,11-14,19,22-23H2,1-3H3,(H,39,43)/t31-,32+,33-/m0/s1
Affinity DataIC50: 120nMAssay Description:Inhibition oh BACE1More data for this Ligand-Target Pair