BDBM50300782 CHEMBL571938::methyl 3'-((2-cyano-9-(3-hydroxypropyl)-9H-purin-6-ylamino)methyl)biphenyl-4-carboxylate

SMILES COC(=O)c1ccc(cc1)-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1

InChI Key InChIKey=OIOIJMMTVPKSAG-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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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 = 50300782   

TargetCathepsin B(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM50300782(methyl 3'-((2-cyano-9-(3-hydroxypropyl)-9H-purin-6...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human liver cathepsin BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2010
Entry Details Article
PubMed
TargetCysteine protease(Trypanosoma brucei rhodesiense)
University of California

Curated by ChEMBL
LigandPNGBDBM50300782(methyl 3'-((2-cyano-9-(3-hydroxypropyl)-9H-purin-6...)
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of Trypanosoma brucei rhodesiense rhodesainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2010
Entry Details Article
PubMed
TargetProcathepsin L(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM50300782(methyl 3'-((2-cyano-9-(3-hydroxypropyl)-9H-purin-6...)
Affinity DataIC50: 1.80E+3nMAssay Description:Inhibition of human liver cathepsin LMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2010
Entry Details Article
PubMed