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
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 14320   

TargetNitric oxide synthase, endothelial(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM14320(1-amino-isoquinoline | CHEMBL62083 | Fragment 17 |...)
Affinity DataIC50:  1.40E+3nMAssay Description:Inhibitory activity against endothelial nitric oxide synthase (eNOS)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNitric oxide synthase, brain(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM14320(1-amino-isoquinoline | CHEMBL62083 | Fragment 17 |...)
Affinity DataIC50:  6.60E+3nMAssay Description:Inhibitory activity against neuronal nitric oxide synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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
TargetNitric oxide synthase, inducible(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM14320(1-amino-isoquinoline | CHEMBL62083 | Fragment 17 |...)
Affinity DataIC50:  4.60E+3nMAssay Description:Inhibitory activity against inducible nitric oxide synthase (iNOS)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed