BDBM50240557 CHEMBL4065655

SMILES [H][C@]1(NCCN(Cc2ccccc2)C1=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)C(C)(C)Cn3cc(CC)c(c1)c23

InChI Key InChIKey=WBWSVNAKBNLSOJ-WXWREJFYSA-N

Data  2 KI  1 EC50

PDB links: 1 PDB ID matches this monomer.

  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 = 50240557   

TargetBeta-secretase 1(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50240557(CHEMBL4065655)
Affinity DataKi:  67nMAssay Description:Inhibition of recombinant human BACE1 (Ala8P to Ala326 residues) expressed in Escherichia coli BL21(DE3) using Arg-Glu(EDANS)-Glu-Val-Asn-Leu-Asp-Ala...More data for this Ligand-Target Pair
TargetBeta-secretase 2(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50240557(CHEMBL4065655)
Affinity DataKi:  7.14E+3nMAssay Description:Inhibition of BACE2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50240557(CHEMBL4065655)
Affinity DataEC50:  19nMAssay Description:Inhibition of BACE1 (unknown origin) by cell based assayMore data for this Ligand-Target Pair