BDBM32925 2-[(4-methoxybenzyl)sulfanyl]-4,6-dimethyl-3-pyridinyl methyl sulfone::2-[(4-methoxyphenyl)methylsulfanyl]-4,6-dimethyl-3-methylsulfonyl-pyridine::2-[(4-methoxyphenyl)methylsulfanyl]-4,6-dimethyl-3-methylsulfonylpyridine::2-[(4-methoxyphenyl)methylthio]-4,6-dimethyl-3-methylsulfonylpyridine::3-mesyl-4,6-dimethyl-2-(p-anisylthio)pyridine::MLS000696047::SMR000334953::cid_1480821

SMILES COc1ccc(CSc2nc(C)cc(C)c2S(C)(=O)=O)cc1

InChI Key InChIKey=NLWBCABPDDBVCT-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 = 32925   

TargetCoagulation factor XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 32925BDBM32925(2-[(4-methoxybenzyl)sulfanyl]-4,6-dimethyl-3-pyrid...)
Affinity DataIC50: 5.00E+4nMpH: 7.4 T: 2°CAssay Description:Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...More data for this Ligand-Target Pair
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Date in BDB:
10/26/2009
Entry Details
PCBioAssay