BDBM40330 7-(2-Ethoxy-ethyl)-3-methyl-8-(3-phenyl-propylsulfanyl)-3,7-dihydro-purine-2,6-dione::7-(2-ethoxyethyl)-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione::7-(2-ethoxyethyl)-3-methyl-8-(3-phenylpropylthio)purine-2,6-dione::7-(2-ethoxyethyl)-3-methyl-8-(3-phenylpropylthio)xanthine::MLS000076118::SMR000013545::cid_646336

SMILES CCOCCn1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12

InChI Key InChIKey=DNROKXMFIBSJCT-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 40330   

TargetCoagulation factor XII(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM40330(7-(2-Ethoxy-ethyl)-3-methyl-8-(3-phenyl-propylsulf...)
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