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SMILES Clc1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1

InChI Key

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50546167   

TargetBeta-secretase 1(Homo sapiens (Human))TBA
LigandPNGBDBM50546167(CHEMBL4756730)copy SMILES
Affinity DataIC50: 1.32E+3nMAssay Description:Inhibition of human BACE-1 using MOCA-SEV-NL-DAEFR-DNP-RR as substrate preincubated with substrate followed by enzyme addition by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2833WM3PubMed
TargetAcetylcholinesterase(Homo sapiens (Human))TBA
LigandPNGBDBM50546167(CHEMBL4756730)copy SMILES
Affinity DataIC50: 102nMAssay Description:Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2833WM3PubMed
TargetCholinesterase(Homo sapiens (Human))TBA
LigandPNGBDBM50546167(CHEMBL4756730)copy SMILES
Affinity DataIC50: 1.82E+3nMAssay Description:Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2833WM3PubMed