BDBM18066 3-({[(6-chloropyridin-3-yl)methyl]sulfanyl}methanimidoyl)guanidine::amidinothiouronium, 21

SMILES NC(=N)NC(=N)SCc1ccc(Cl)nc1

InChI Key InChIKey=KWQWMPVDDZEAHE-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 = 18066   

TargetDihydrofolate reductase(Escherichia coli (strain K12))
University of Prince Edward Island

LigandPNGBDBM18066(3-({[(6-chloropyridin-3-yl)methyl]sulfanyl}methani...)
Affinity DataIC50: 3.47E+4nMpH: 7.0 T: 2°CAssay Description:The DHFR inhibition observed with each derivative was characterized by determination and comparison of the IC50 values. IC50 determinations were perf...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/30/2007
Entry Details Article
PubMed