BDBM50540172 CHEMBL4637426

SMILES [H][C@]1(C[C@H]1C(C)(C)OC[C@@H]1C[C@H]1C)[C@]12CN(C[C@@]1([H])CSC(N)=N2)c1ncccn1

InChI Key InChIKey=BFGQEVKVRRYAQC-IFEDNLKFSA-N

Data  5 IC50

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 5 hits for monomerid = 50540172   

TargetBeta-secretase 1(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50540172(CHEMBL4637426)
Affinity DataIC50:  10nMAssay Description:Inhibition of human BACE1 (1 to 460 residues) expressed in HEK293 cells using mcaFRET peptide as substrate after 20 hrs by FRET assayMore data for this Ligand-Target Pair
TargetBeta-secretase 2(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50540172(CHEMBL4637426)
Affinity DataIC50:  5.30nMAssay Description:Inhibition of human BACE2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50540172(CHEMBL4637426)
Affinity DataIC50: >3.00E+5nMAssay Description:Inhibition of human Cathepsin D by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50540172(CHEMBL4637426)
Affinity DataIC50:  10nMAssay Description:Inhibition of recombinant human BACE1 using (MCA)-S-E-V-N-L-D-A-E-F-R-K(dinitrophenol)-R-R-R-R-NH2 as substrate incubated for 8 hrs by FRET assayMore data for this Ligand-Target Pair
TargetCathepsin D(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50540172(CHEMBL4637426)
Affinity DataIC50:  1.60E+5nMAssay Description:Inhibition of human cathepsin DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed