BDBM45444 (4-Amino-5-p-tolyloxymethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid::2-[[4-amino-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid::2-[[4-amino-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetic acid::2-[[4-azanyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid::MLS000123996::SMR000124478::cid_977259

SMILES Cc1ccc(OCc2nnc(SCC(O)=O)n2N)cc1

InChI Key InChIKey=DWWJNZHWAJPIPQ-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 = 45444   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM45444(2-[[4-azanyl-5-[(4-methylphenoxy)methyl]-1,2,4-tri...)
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