BDBM161468 US9108978, 6.09

SMILES Cc1ccc2c(c1)N(C(=O)O2)CCCCn3cc(nn3)CCCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5

InChI Key InChIKey=LIWDYWLHGFRYPL-UHFFFAOYSA-N

Data  3 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 161468   

TargetBifunctional ligase/repressor BirA(Staphylococcus aureus)
Monash University

US Patent
LigandPNGBDBM161468(US9108978, 6.09)
Affinity DataKi:  90nM ΔG°:  -9.99kcal/mole IC50: 530nMpH: 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(Escherichia coli (strain K12))
Monash University

US Patent
LigandPNGBDBM161468(US9108978, 6.09)
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
LigandPNGBDBM161468(US9108978, 6.09)
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