BDBM531008 N1-((R)-3-amino-2- hydroxypropyl)-4-(4-(2- aminoethyl)azepan-1-yl)-3-(2H- tetrazol-5-yl)benzene-1,2- disulfonamide bis(2,2,2- trifluoroacetate)::US11207312, Example 140

SMILES NCCC1CCCN(CC1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@H](O)CN

InChI Key

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 531008   

TargetMetallo-beta-lactamase type 2(Klebsiella pneumoniae)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM531008(N1-((R)-3-amino-2- hydroxypropyl)-4-(4-(2- aminoet...)
Affinity DataIC50:  3.75nMAssay Description:The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetMetallo-beta-lactamase VIM-2(Pseudomonas aeruginosa (g-Proteobacteria))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM531008(N1-((R)-3-amino-2- hydroxypropyl)-4-(4-(2- aminoet...)
Affinity DataIC50:  1.87nMAssay Description:The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetVIM-1 metallo-beta-lactamase(Klebsiella pneumoniae)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM531008(N1-((R)-3-amino-2- hydroxypropyl)-4-(4-(2- aminoet...)
Affinity DataIC50:  0.100nMAssay Description:The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBeta-lactamase(Pseudomonas aeruginosa)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM531008(N1-((R)-3-amino-2- hydroxypropyl)-4-(4-(2- aminoet...)
Affinity DataIC50:  6.34nMAssay Description:The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent