BDBM56898 1-{4-[3-(2-Chloro-6-fluoro-benzyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]-piperidin-1-yl}-3,3-dimethyl-butan-1-one::3-(2-chloro-6-fluoro-benzyl)-5-[1-(3,3-dimethylbutanoyl)-4-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one::3-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-5-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one::3-[(2-chloro-6-fluorophenyl)methyl]-5-[1-(3,3-dimethyl-1-oxobutyl)-4-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one::3-[(2-chloro-6-fluorophenyl)methyl]-5-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2H-triazolo[4,5-d]pyrimidin-7-one::MLS000027933::SMR000000952::cid_652730

SMILES CC(C)(C)CC(=O)N1CCC(CC1)c1nc2n(Cc3c(F)cccc3Cl)nnc2c(=O)[nH]1

InChI Key InChIKey=AAFITTGNWDYGJF-UHFFFAOYSA-N

Data  1 EC50

  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 1 hit for monomerid = 56898   

TargetStreptokinase A(Streptococcus pyogenes M1 GAS)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM56898(3-[(2-chloro-6-fluorophenyl)methyl]-5-[1-(3,3-dime...)
Affinity DataEC50:  1.50E+5nMAssay Description:Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/8/2011
Entry Details
PCBioAssay