BDBM45496 2-[(2-keto-7-methyl-chromen-4-yl)methylthio]-3-(1-methylolpropyl)quinazolin-4-one::2-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3-(1-oxidanylbutan-2-yl)quinazolin-4-one::3-(1-hydroxybutan-2-yl)-2-[(7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-quinazolinone::3-(1-hydroxybutan-2-yl)-2-[(7-methyl-2-oxochromen-4-yl)methylsulfanyl]quinazolin-4-one::MLS000536156::SMR000155468::cid_3962956

SMILES CCC(CO)n1c(SCc2cc(=O)oc3cc(C)ccc23)nc2ccccc2c1=O

InChI Key InChIKey=SSCVIULWJKQDQA-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 = 45496   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM45496(2-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsu...)
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