BDBM45582 4,6-dimethyl-2-[(4-nitrobenzyl)thio]nicotinonitrile::4,6-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carbonitrile::4,6-dimethyl-2-[(4-nitrophenyl)methylthio]-3-pyridinecarbonitrile::MLS000687560::SMR000283343::cid_736358

SMILES Cc1cc(C)c(C#N)c(SCc2ccc(cc2)[N+]([O-])=O)n1

InChI Key InChIKey=DUEAGAZSJQWTKX-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 = 45582   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45582BDBM45582(cid_736358 | 4,6-dimethyl-2-[(4-nitrophenyl)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:
5/27/2011
Entry Details
PCBioAssay