BDBM45354 3-(2,4-difluorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]quinazolin-4-one::3-(2,4-difluorophenyl)-2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-4-quinazolinone::3-(2,4-difluorophenyl)-2-[(3,5-dimethylisoxazol-4-yl)methylthio]quinazolin-4-one::3-[2,4-bis(fluoranyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]quinazolin-4-one::MLS000096418::SMR000062060::cid_2371696

SMILES Cc1noc(C)c1CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F

InChI Key InChIKey=IMXRKKCDWWHDRP-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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 45354   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45354BDBM45354(cid_2371696 | SMR000062060 | 3-(2,4-difluorophenyl...)
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