BDBM45579 9-(2,4-dimethoxyphenyl)-1-methyl-3-(4-methylbenzyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone::9-(2,4-dimethoxyphenyl)-1-methyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione::MLS000685291::SMR000324048::cid_4907452

SMILES COc1ccc(N2CCCn3c2nc2n(C)c(=O)n(Cc4ccc(C)cc4)c(=O)c32)c(OC)c1

InChI Key InChIKey=FXEKJHUHKXCQIA-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 45579   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45579BDBM45579(9-(2,4-dimethoxyphenyl)-1-methyl-3-[(4-methylpheny...)
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