BDBM14322 2-Aminoquinoline 1::2-aminoquinoline::CHEMBL61236::Fragment 19::Quinolin-2-amine::fragment 2 (J. med. chem.,50,1116)

SMILES Nc1ccc2ccccc2n1

InChI Key InChIKey=GCMNJUJAKQGROZ-UHFFFAOYSA-N

Data  5 KI  5 IC50  4 Kd  3 EC50  1 Other

PDB links: 4 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 14322   

TargetBeta-secretase 1(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM14322(2-Aminoquinoline 1 | 2-aminoquinoline | CHEMBL6123...)
Affinity DataKd:  9.00E+5nMAssay Description:Binding affinity to BACE1 after 90 seconds by surface plasmon resonance assayMore data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM14322(2-Aminoquinoline 1 | 2-aminoquinoline | CHEMBL6123...)
Affinity DataIC50:  8.00E+5nMAssay Description:Inhibition of BACE1 using 19F-labeled EVNLDAEF(CF3) as substrate after 20 mins by NMR spectrometeryMore data for this Ligand-Target Pair