BDBM32772 3-methyl-8-[methyl-(phenylmethyl)amino]-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione::3-methyl-8-[methyl-(phenylmethyl)amino]-7-[3-(2-pyrimidinylthio)propyl]purine-2,6-dione::8-[benzyl(methyl)amino]-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione::8-[benzyl(methyl)amino]-3-methyl-7-[3-(2-pyrimidylthio)propyl]xanthine::MLS000083979::SMR000047633::cid_666425

SMILES CN(Cc1ccccc1)c1nc2n(C)c(=O)[nH]c(=O)c2n1CCCSc1ncccn1

InChI Key InChIKey=QULCCXJULPPHAK-UHFFFAOYSA-N

Data  2 IC50

  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 2 hits for monomerid = 32772   

TargetCoagulation factor XII(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32772(3-methyl-8-[methyl-(phenylmethyl)amino]-7-(3-pyrim...)
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 DepthDetails PCBioAssay
TargetCoagulation factor XI(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32772(3-methyl-8-[methyl-(phenylmethyl)amino]-7-(3-pyrim...)
Affinity DataIC50: >5.00E+4nMpH: 7.4 T: 2°CAssay Description:Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay