BDBM630176 US11802110, Compound R-4.1

SMILES CC(C)C[C@H](N)C(=O)N[S@](=O)c1ccccc1

InChI Key InChIKey=DRNKHPOTRWUVCY-UHFFFAOYSA-N

Data  1 Kd  1 ITC

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 630176   

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

US Patent
LigandPNGBDBM630176(US11802110, Compound R-4.1)
Affinity DataKd:  3.86nMAssay 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 = 630176   

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

US Patent
SyringePNGBDBM630176(US11802110, Compound R-4.1)
ITC DataΔG°: -11.5kcal/mole −TΔS°: 0kcal/mole ΔH°: -11.9kcal/mole logk: 2.02E+6
pH: 7.5 T: 125.01°C 
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