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SMILES Cl.[H][C@@]12CN(C[C@@]1(N=C(N)SC2)c1ccns1)c1ncc(F)cn1

InChI Key

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50581136   

TargetBeta-secretase 1(Homo sapiens (Human))TBA
LigandPNGBDBM50581136(CHEMBL3701713)copy SMILES
Affinity DataIC50: 172nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29W0KBWPubMed
TargetBeta-secretase 1(Mus musculus (Mouse))TBA
LigandPNGBDBM50581136(CHEMBL3701713)copy SMILES
Affinity DataIC50: 2.46E+3nMAssay Description:Inhibition of BACE1 in mouse primary cortical neuron assessed as reduction in Amyloid-beta level incubated for 24 hrs by sandwich ELISA assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29W0KBWPubMed
TargetCathepsin D(Homo sapiens (Human))TBA
LigandPNGBDBM50581136(CHEMBL3701713)copy SMILES
Affinity DataIC50: 2.90E+4nMAssay Description:Inhibition of human Cathepsin D by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29W0KBWPubMed