BDBM45710 2-[2-(4-Fluoro-phenylsulfanyl)-ethyl]-pyridinium::MLS000767112::SMR000429527::cid_16682387::dihydrogen phosphate;2-[2-(4-fluorophenyl)sulfanylethyl]pyridin-1-ium::dihydrogen phosphate;2-[2-[(4-fluorophenyl)thio]ethyl]pyridin-1-ium

SMILES Fc1ccc(SCCc2cccc[nH+]2)cc1

InChI Key InChIKey=LAGVFMQMEDEGPV-UHFFFAOYSA-O

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 45710   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45710BDBM45710(MLS000767112 | 2-[2-(4-Fluoro-phenylsulfanyl)-ethy...)
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