BDBM45397 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide::2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[2-(methylthio)phenyl]acetamide::2-(N-mesyl-3,4-dimethoxy-anilino)-N-[2-(methylthio)phenyl]acetamide::2-[(3,4-dimethoxyphenyl)-methylsulfonyl-amino]-N-(2-methylsulfanylphenyl)ethanamide::MLS000097193::N~2~-(3,4-dimethoxyphenyl)-N~2~-(methylsulfonyl)-N~1~-[2-(methylthio)phenyl]glycinamide::SMR000076771::cid_2208130

SMILES COc1ccc(cc1OC)N(CC(=O)Nc1ccccc1SC)S(C)(=O)=O

InChI Key InChIKey=RYKIBQFGLQKCSB-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 = 45397   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45397BDBM45397(2-[(3,4-dimethoxyphenyl)-methylsulfonyl-amino]-N-(...)
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