BDBM161470 US9108978, 4.01

SMILES c1c(nnn1CCCCn2cnc3c2ncnc3N)CCCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5

InChI Key InChIKey=GCOZLSRXMOWRSO-UHFFFAOYSA-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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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
In Depth
Date in BDB:
1/19/2016
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
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
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBifunctional ligase/repressor BirA(Escherichia coli (strain K12))
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
In Depth
Date in BDB:
1/19/2016
Entry Details
Go to US Patent

TargetBifunctional ligase/repressor BirA(Escherichia coli (strain K12))
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
In Depth
Date in BDB:
1/19/2016
Entry Details
Go to US Patent