BDBM45487 (5-Methyl-7-oxo-2-p-tolyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-acetic acid methyl ester::2-[5-methyl-2-(4-methylphenyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid methyl ester::2-[7-keto-5-methyl-2-(p-tolyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid methyl ester::MLS000552048::SMR000145773::cid_1872769::methyl 2-[5-methyl-2-(4-methylphenyl)-7-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanoate::methyl 2-[5-methyl-2-(4-methylphenyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate

SMILES COC(=O)Cc1c(C)nc2nc(-c3ccc(C)cc3)[nH]n2c1=O

InChI Key InChIKey=XQOXJWFSAWMBHM-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 45487   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45487BDBM45487(MLS000552048 | cid_1872769 | methyl 2-[5-methyl-2-...)
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