BDBM161470 US9108978, 4.01

SMILES Nc1ncnc2n(CCCCn3cc(CCCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)nn3)cnc12

InChI Key InChIKey=GCOZLSRXMOWRSO-ULQDDVLXSA-N

Data  4 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 161470   

TargetBifunctional ligase/repressor BirA(Staphylococcus aureus)
Monash University

US Patent
LigandPNGBDBM161470(US9108978, 4.01)
Affinity DataKi:  660nM ΔG°:  -8.76kcal/mole IC50:  4.00E+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
Ligand InfoPC cidPC sidPDB
TargetBifunctional ligase/repressor BirA(Staphylococcus aureus)
University Of Groningen

Curated by ChEMBL
LigandPNGBDBM161470(US9108978, 4.01)
Affinity DataKi:  660nMAssay Description:Inhibition of Staphylococcus aureus biotin protein ligase by LC/MS-SIM analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetBifunctional ligase/repressor BirA(Escherichia coli)
Monash University

US Patent
LigandPNGBDBM161470(US9108978, 4.01)
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
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
TargetBifunctional ligase/repressor BirA(Escherichia coli)
Monash University

US Patent
LigandPNGBDBM161470(US9108978, 4.01)
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
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent