BDBM45643 (2,5-dimethoxybenzyl)-(2-methyl-4-nitro-phenyl)amine::MLS000718209::N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-4-nitro-aniline::N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-4-nitroaniline::SMR000279977::cid_2852237

SMILES COc1ccc(OC)c(CNc2ccc(cc2C)[N+]([O-])=O)c1

InChI Key InChIKey=QITGCGNZEURVBM-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 = 45643   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45643BDBM45643(SMR000279977 | N-[(2,5-dimethoxyphenyl)methyl]-2-m...)
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