BDBM630396 US11802110, Compound 4.16

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

InChI Key InChIKey=HHKGRYGFDZHEKD-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 = 630396   

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

US Patent
LigandPNGBDBM630396(US11802110, Compound 4.16)
Affinity DataKd:  27.2nMAssay 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
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Date in BDB:
12/13/2023
Entry Details
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Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 630396   

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

US Patent
SyringePNGBDBM630396(US11802110, Compound 4.16)
ITC DataΔG°: -10.3kcal/mole −TΔS°: -5.71kcal/mole ΔH°: -4.90kcal/mole logk: 4.78E+5
pH: 7.5 T: 125.01°C 
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