BDBM50636199 CHEMBL5542607

SMILES N=C(NCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1

InChI Key

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50636199   

TargetMethionine--tRNA ligase(Staphylococcus aureus (strain Mu50 / ATCC 700699))
Sun Yat-sen University

Curated by ChEMBL
LigandPNGBDBM50636199(CHEMBL5542607)
Affinity DataKd:  0.452nMAssay Description:Binding affinity to Staphylococcus aureus MetRS expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant in presence of 1 mM A...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetMethionine--tRNA ligase(Staphylococcus aureus (strain Mu50 / ATCC 700699))
Sun Yat-sen University

Curated by ChEMBL
LigandPNGBDBM50636199(CHEMBL5542607)
Affinity DataKd:  0.493nMAssay Description:Binding affinity to Staphylococcus aureus MetRS expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant in presence of 50 uM ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetMethionine--tRNA ligase(Staphylococcus aureus (strain Mu50 / ATCC 700699))
Sun Yat-sen University

Curated by ChEMBL
LigandPNGBDBM50636199(CHEMBL5542607)
Affinity DataKd:  1.40nMAssay Description:Binding affinity to Staphylococcus aureus MetRS expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant in presence of 20 uM ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetMethionine--tRNA ligase(Staphylococcus aureus (strain Mu50 / ATCC 700699))
Sun Yat-sen University

Curated by ChEMBL
LigandPNGBDBM50636199(CHEMBL5542607)
Affinity DataKd:  4.90nMAssay Description:Binding affinity to Staphylococcus aureus MetRS expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant by ITC analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetMethionine--tRNA ligase(Enterococcus faecalis)
Sun Yat-sen University

Curated by ChEMBL
LigandPNGBDBM50636199(CHEMBL5542607)
Affinity DataKd:  150nMAssay Description:Binding affinity to Enterococcus faecalis type 1 MetRS expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant in presence of...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetMethionine--tRNA ligase(Enterococcus faecalis)
Sun Yat-sen University

Curated by ChEMBL
LigandPNGBDBM50636199(CHEMBL5542607)
Affinity DataKd:  2.70E+3nMAssay Description:Binding affinity to Enterococcus faecalis type 1 MetRS expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant by ITC analysi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetMethionine--tRNA ligase(Enterococcus faecalis)
Sun Yat-sen University

Curated by ChEMBL
LigandPNGBDBM50636199(CHEMBL5542607)
Affinity DataIC50: 1.61E+4nMAssay Description:Inhibition of Enterococcus faecalis type 1 MetRS expressed in Escherichia coli BL21(DE3) cells measured after 1.5 hrs in presence of ATP by pre-trans...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetMethionine--tRNA ligase(Staphylococcus aureus (strain Mu50 / ATCC 700699))
Sun Yat-sen University

Curated by ChEMBL
LigandPNGBDBM50636199(CHEMBL5542607)
Affinity DataIC50: 1.73E+4nMAssay Description:Inhibition of Staphylococcus aureus MetRS expressed in Escherichia coli BL21(DE3) cells measured after 2.5 hrs in presence of ATP by pre-transfer edi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMedPDB3D3D Structure (crystal)