BDBM18061 3-({[(4-nitrophenyl)methyl]sulfanyl}methanimidoyl)guanidine::amidinothiouronium, 16

SMILES NC(=N)NC(=N)SCc1ccc(cc1)[N+]([O-])=O

InChI Key InChIKey=BKRSGWMDAVNEAP-UHFFFAOYSA-N

Data  1 IC50  1 Kd

  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 2 hits for monomerid = 18061   

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

LigandPNGBDBM18061(3-({[(4-nitrophenyl)methyl]sulfanyl}methanimidoyl)...)
Affinity DataIC50: 3.51E+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
TargetDihydrofolate reductase(Escherichia coli)
York University

Curated by ChEMBL
LigandPNGBDBM18061(3-({[(4-nitrophenyl)methyl]sulfanyl}methanimidoyl)...)
Affinity DataKd:  3.20E+3nMAssay Description:Binding affinity to Escherichia coli DHFR:NADPH complex expressed in Escherichia coli BL21 (DE3) rosetta cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMed