BDBM50398476 CHEMBL2179130

SMILES CC[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCC(C)C

InChI Key InChIKey=GPJMPGWBMWJZEY-HFYAYSLXSA-N

Data  3 KI  1 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 4 hits for monomerid = 50398476   

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

Curated by ChEMBL
LigandPNGBDBM50398476(CHEMBL2179130)
Affinity DataKi:  27nMAssay Description:Inhibition of recombinant BACE1 expressed in Escherichia coli using Arg- Glu(EDANS)-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Lys(Dabcyl)-Arg as substrate by f...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 2(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50398476(CHEMBL2179130)
Affinity DataKi:  1.45E+3nMAssay Description:Inhibition of recombinant BACE2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50398476(CHEMBL2179130)
Affinity DataKi:  8.26E+3nMAssay Description:Inhibition of human cathepsin DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50398476(CHEMBL2179130)
Affinity DataIC50:  9.5nMAssay Description:Inhibition of BACE1 in human neuroblastoma cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed