BDBM45339 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid methyl ester::2-(7-keto-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid methyl ester::MLS000084182::SMR000048123::cid_666837::methyl 2-(5-methyl-7-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanoate::methyl 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate

SMILES COC(=O)Cc1c(C)nc2nc[nH]n2c1=O

InChI Key InChIKey=LBNHIJDKQAZILS-UHFFFAOYSA-N

Data  2 IC50

  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 = 45339   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45339BDBM45339(2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimid...)
Affinity DataIC50: 5.00E+4nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/27/2011
Entry Details
PCBioAssay
TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45339BDBM45339(2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimid...)
Affinity DataIC50: 5.00E+4nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/8/2011
Entry Details
PCBioAssay