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

Data  1 KI  1 IC50  3 Kd

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 18049   

TargetDihydrofolate reductase(Escherichia coli)
University Of Prince Edward Island

LigandPNGBDBM18049(3-({[(4-{[(carbamimidamidomethanimidoyl)sulfanyl]m...)
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
TargetDihydrofolate reductase(Escherichia coli)
York University

Curated by ChEMBL
LigandPNGBDBM18049(3-({[(4-{[(carbamimidamidomethanimidoyl)sulfanyl]m...)
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
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Escherichia coli)
York University

Curated by ChEMBL
LigandPNGBDBM18049(3-({[(4-{[(carbamimidamidomethanimidoyl)sulfanyl]m...)
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
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Escherichia coli)
University Of Prince Edward Island

LigandPNGBDBM18049(3-({[(4-{[(carbamimidamidomethanimidoyl)sulfanyl]m...)
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
TargetDihydrofolate reductase(Escherichia coli)
York University

Curated by ChEMBL
LigandPNGBDBM18049(3-({[(4-{[(carbamimidamidomethanimidoyl)sulfanyl]m...)
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
In DepthDetails ArticlePubMed