BDBM18049 3-({[(4-{[(carbamimidamidomethanimidoyl)sulfanyl]methyl}-2,5-dimethylphenyl)methyl]sulfanyl}methanimidoyl)guanidine::imidothiocarbamate analogue, 1
SMILES Cc1cc(CSC(=N)NC(N)=N)c(C)cc1CSC(=N)NC(N)=N
InChI Key InChIKey=UQMGTQSCMRRWFV-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 5 hits for monomerid = 18049
Affinity DataKi: 11.5nM ΔG°: -10.8kcal/molepH: 7.5 T: 2°CAssay Description:The oxidation of NADPH was monitored at 340 nm using a Molecular Devices SpectraMax Plus 96-well microtiter plate reading spectrophotometer. Plots we...More data for this Ligand-Target Pair
Affinity DataKd: 5.60E+3nMAssay Description:Binding affinity to Escherichia coli DHFR:NADP+ complex expressed in Escherichia coli BL21 (DE3) rosetta cellsMore data for this Ligand-Target Pair
Affinity DataKd: 3.70E+3nMAssay Description:Binding affinity to Escherichia coli DHFR expressed in Escherichia coli BL21 (DE3) rosetta cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 75nMpH: 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
Affinity DataKd: 13nMAssay Description:Binding affinity to Escherichia coli DHFR:NADPH complex expressed in Escherichia coli BL21 (DE3) rosetta cellsMore data for this Ligand-Target Pair