BDBM18052 3-[({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)methanimidoyl]guanidine::MS-SH08-17::amidinothiouronium, 7

SMILES [H]/N=C(\N)/N/C(=N/[H])/SCc1cccc(c1)C(F)(F)F

InChI Key InChIKey=DWJNPCRXBNWCJC-UHFFFAOYSA-N

Data  1 IC50

PDB links: 1 PDB ID matches this monomer.

  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 1 hit for monomerid = 18052   

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

LigandPNGBDBM18052(3-[({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)me...)
Affinity DataIC50: 4.30E+3nMpH: 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
PubMedPDB3D3D Structure (crystal)