BDBM14320 1-amino-isoquinoline::CHEMBL62083::Fragment 17::fragment 1 (J. med. chem.,50,1116)::isoquinolin-1-amine

SMILES Nc1nccc2ccccc12

InChI Key InChIKey=OSILBMSORKFRTB-UHFFFAOYSA-N

Data  5 KI  4 IC50  2 Kd  1 Other

PDB links: 7 PDB IDs match 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 = 14320   

TargetBeta-secretase 1(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM14320(1-amino-isoquinoline | CHEMBL62083 | Fragment 17 |...)
Affinity DataIC50:  2.00E+6nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM14320(1-amino-isoquinoline | CHEMBL62083 | Fragment 17 |...)
Affinity DatapH: 5.0 T: 2°CAssay Description:Activity of BACE-1 was measured by monitoring the cleavage of its peptide substrate on a Fluoroskan Ascent plate reader with excitation and emission ...More data for this Ligand-Target Pair