BDBM630399 US11802110, Compound 4.19

SMILES CC(C)CC(N)C(=O)NS(=O)c1cccc(c1)C#N

InChI Key InChIKey=DRCJNEPMUIXKSN-UHFFFAOYSA-N

Data  1 Kd  1 ITC

  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 1 hit for monomerid = 630399   

TargetLeucine--tRNA ligase(Escherichia coli (strain K12))
Oxford Drug Design

US Patent
LigandPNGBDBM630399(US11802110, Compound 4.19)
Affinity DataKd:  3.35nMAssay Description:ITC studies were carried out using a Microcal ITC200 instrument (GE Healthcare). Protein concentration was determined by spectrophotometry by measuri...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 630399   

CellLeucine--tRNA ligase(Escherichia coli (strain K12))
Oxford Drug Design

US Patent
SyringePNGBDBM630399(US11802110, Compound 4.19)
ITC DataΔG°: -11.6kcal/mole −TΔS°: -2.85kcal/mole ΔH°: -8.48kcal/mole logk: 2.24E+6
pH: 7.5 T: 125.01°C 
Syringe InfoPC cidPC sid
In DepthDetails US Patent