BDBM630403 US11802110, Compound 4.23

SMILES COCc1cccc(c1)S(=O)NC(=O)C(N)CC(C)C

InChI Key InChIKey=PSAFDPWHWIOXLF-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 = 630403   

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

US Patent
LigandPNGBDBM630403(US11802110, Compound 4.23)
Affinity DataKd:  17.5nMAssay 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 = 630403   

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

US Patent
SyringePNGBDBM630403(US11802110, Compound 4.23)
ITC DataΔG°: -10.6kcal/mole −TΔS°: -3.80kcal/mole ΔH°: -7.07kcal/mole logk: 6.49E+5
pH: 7.5 T: 125.01°C 
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