BDBM161469 US9108978, 6.07

SMILES O=C1N[C@H]2CS[C@@H](CCCCCc3cn(CCCCOc4ccc5ccccc5c4)nn3)[C@H]2N1

InChI Key InChIKey=PLGWUMURZLHGNO-SDHOMARFSA-N

Data  3 KI  1 IC50

  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 3 hits for monomerid = 161469   

TargetBifunctional ligase/repressor BirA(Staphylococcus aureus)
Monash University

US Patent
LigandPNGBDBM161469(US9108978, 6.07)
Affinity DataKi:  1.17E+3nM ΔG°:  -8.41kcal/mole IC50:  7.00E+3nMpH: 8.0 T: 2°CAssay Description:Quantitation of BPL catalysed 3H-biotin incorporation into the biotin domain substrate was performed as previously described by Polyak et al, J. Biol...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBifunctional ligase/repressor BirA(Escherichia coli)
Monash University

US Patent
LigandPNGBDBM161469(US9108978, 6.07)
Affinity DataKi: >3.00E+4nM ΔG°: >-6.41kcal/molepH: 8.0 T: 2°CAssay Description:Quantitation of BPL catalysed 3H-biotin incorporation into the biotin domain substrate was performed as previously described by Polyak et al, J. Biol...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBifunctional ligase/repressor BirA(Escherichia coli)
Monash University

US Patent
LigandPNGBDBM161469(US9108978, 6.07)
Affinity DataKi: >3.00E+4nM ΔG°: >-6.41kcal/molepH: 8.0 T: 2°CAssay Description:Quantitation of BPL catalysed 3H-biotin incorporation into the biotin domain substrate was performed as previously described by Polyak et al, J. Biol...More data for this Ligand-Target Pair
In DepthDetails US Patent