BDBM50324670 ((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl 2-hydroxybenzoylsulfamate::5'-O-(N-(2-hydroxybenzoyl)sulfamoyl)adenosine::5'-O-[N-(salicyl)-sulfamoyl]-adenosine::5'-O-[N-(salicyl)sulfamoyl] adenosine::5'-O-[N-(salicyl)sulfamoyl]adenosine::CHEMBL371502

SMILES c1ccc(c(c1)C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O

InChI Key InChIKey=SABYITLYKSVAAD-UHFFFAOYSA-N

Data  3 KI  3 IC50

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50324670   

TargetSalicyl-AMP ligase / salicyl-S-ArCP synthetase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Weill Medical College of Cornell University

Curated by ChEMBL
LigandPNGBDBM50324670(5'-O-[N-(salicyl)-sulfamoyl]-adenosine | 5'-O-[N-(...)
Affinity DataIC50: 10.7nMAssay Description:Inhibition of adenylation activity of Mycobacterium tuberculosis MbtA after 30 mins by ATP-[32P]pyrophosphate exchange assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2011
Entry Details Article
PubMed
LigandPNGBDBM50324670(5'-O-[N-(salicyl)-sulfamoyl]-adenosine | 5'-O-[N-(...)
Affinity DataIC50: 1.00E+5nMAssay Description:Antagonist activity at human TRPM2 expressed in HEK293 cells assessed as inhibition of ADPR-induced maximum outward potassium current at +15 mV by wh...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetYersiniabactin siderophore biosynthetic protein(Yersinia pestis CA88-4125)
Weill Medical College of Cornell University

Curated by ChEMBL
LigandPNGBDBM50324670(5'-O-[N-(salicyl)-sulfamoyl]-adenosine | 5'-O-[N-(...)
Affinity DataIC50: 7nMAssay Description:Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 proteinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetSalicyl-AMP ligase / salicyl-S-ArCP synthetase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Weill Medical College of Cornell University

Curated by ChEMBL
LigandPNGBDBM50324670(5'-O-[N-(salicyl)-sulfamoyl]-adenosine | 5'-O-[N-(...)
Affinity DataKi:  6.60nMAssay Description:Inhibition of Mycobacterium tuberculosis MbtA expressed in Escherichia coli assessed as ATP-[32P]Ppi exchangeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2013
Entry Details Article
PubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH](Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Niper Hyderabad

Curated by ChEMBL
LigandPNGBDBM50324670(5'-O-[N-(salicyl)-sulfamoyl]-adenosine | 5'-O-[N-(...)
Affinity DataKi:  6.60nMAssay Description:Binding affinity to Mycobacterium tuberculosis InhAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetAnthranilate--CoA ligase(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
University of Nottingham

Curated by ChEMBL
LigandPNGBDBM50324670(5'-O-[N-(salicyl)-sulfamoyl]-adenosine | 5'-O-[N-(...)
Affinity DataKi:  88nMAssay Description:Inhibition of recombinant Pseudomonas aeruginosa PqsA assessed as decrease in formation of anthranilyl-CoA by spectrophotometric methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed