BDBM50493641 CHEMBL2437454

SMILES [H][C@]1(C[C@H]1c1ccccc1)[C@]1(C)CC(=O)N(C)C(N)=N1

InChI Key InChIKey=YBXYDJCRBQOXMI-UHFFFAOYSA-N

Data  1 IC50  1 Kd

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 2 hits for monomerid = 50493641   

TargetBeta-secretase 1(Human)
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM50493641(CHEMBL2437454)
Affinity DataIC50: 1.80E+4nMAssay Description:Inhibition of human recombinant BACE1 expressed in Escherichia coli BL21(DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 1 hr by fluorescenc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 1(Human)
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM50493641(CHEMBL2437454)
Affinity DataKd:  2.68E+4nMAssay Description:Binding affinity to human recombinant BACE1 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)