BDBM45324 8-bromanyl-1,3-dimethyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione::8-bromo-1,3-dimethyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione::8-bromo-1,3-dimethyl-7-[2-(2-pyrimidinylthio)ethyl]purine-2,6-dione::8-bromo-1,3-dimethyl-7-[2-(2-pyrimidylthio)ethyl]xanthine::MLS000077514::SMR000037762::cid_661328

SMILES Cn1c2nc(Br)n(CCSc3ncccn3)c2c(=O)n(C)c1=O

InChI Key InChIKey=FMCLRLBGHRLAME-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 45324   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45324BDBM45324(MLS000077514 | 8-bromo-1,3-dimethyl-7-(2-pyrimidin...)
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