BDBM40387 3-N,5-N-bis[(4-methoxyphenyl)methyl]-1-methylsulfonyl-1,2,4-triazole-3,5-diamine::MLS000052778::N,N'-bis(4-methoxybenzyl)-1-(methylsulfonyl)-1H-1,2,4-triazole-3,5-diamine::N3,N5-bis[(4-methoxyphenyl)methyl]-1-methylsulfonyl-1,2,4-triazole-3,5-diamine::SMR000082591::[1-mesyl-5-(p-anisylamino)-1,2,4-triazol-3-yl]-p-anisyl-amine::cid_1258480

SMILES COc1ccc(CNc2nc(NCc3ccc(OC)cc3)n(n2)S(C)(=O)=O)cc1

InChI Key InChIKey=DYRWMCVXDPUZNP-UHFFFAOYSA-N

Data  1 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 40387   

LigandPNGBDBM40387(SMR000082591 | N3,N5-bis[(4-methoxyphenyl)methyl]-...)
Affinity DataEC50:  5.78E+3nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/27/2011
Entry Details
PCBioAssay
TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM40387(SMR000082591 | N3,N5-bis[(4-methoxyphenyl)methyl]-...)
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:
5/6/2011
Entry Details
PCBioAssay