BDBM50657426 CHEMBL6161759

SMILES Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCN[C@@H](Cc2c[nH]cn2)C(=O)O)[C@@H](O)[C@H]1O

InChI Key InChIKey=GJSGTDVYFQMPOL-UHFFFAOYSA-N

Data  1 IC50  2 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50657426   

TargetD-histidine 2-aminobutanoyltransferase(Staphylococcus aureus (strain Mu50 / ATCC 700699))
Sun Yat-sen University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50657426BDBM50657426(CHEMBL6161759)
Affinity DataIC50: 120nMAssay Description:Inhibition of N-terminal his6-tagged Staphylococcus aureus ATCC 700699 CntL using SAM as substrate preincubated with compound for 10 mins followed by...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
TargetD-histidine 2-aminobutanoyltransferase(Staphylococcus aureus (strain Mu50 / ATCC 700699))
Sun Yat-sen University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50657426BDBM50657426(CHEMBL6161759)
Affinity DataKd:  180nMAssay Description:Binding affinity to N-terminal his6-tagged Staphylococcus aureus ATCC 700699 CntL assessed as dissociation constant by ITC analysisMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
TargetL-histidine 2-aminobutanoyltransferase(Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)
Sun Yat-sen University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50657426BDBM50657426(CHEMBL6161759)
Affinity DataKd:  600nMAssay Description:Binding affinity to N-terminal his6-tagged Pseudomonas aeruginosa CntL assessed as dissociation constant by ITC analysisMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed