BDBM50397693 CHEMBL2181891

SMILES COCC(=O)N[C@@H](Cc1cccc(c1)-c1nccn1C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12

InChI Key InChIKey=OWSUWCSVFOZIGR-HZFUHODCSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50397693   

TargetBeta-secretase 1(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50397693(CHEMBL2181891)
Affinity DataIC50:  5.5nMAssay Description:Inhibition of BACE1 in human HEK293 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta 40 production after overnight incubati...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50397693(CHEMBL2181891)
Affinity DataIC50:  50nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 10 mins by HPLC-MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50397693(CHEMBL2181891)
Affinity DataIC50:  64nMAssay Description:Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed