BDBM50513912 CHEMBL4524569

SMILES NS(=O)(=O)c1ccc(cc1)C(=O)n1[nH]c(=O)c2c(cccc2c1=O)[N+]([O-])=O

InChI Key InChIKey=QHFYYEJDRXOQFB-UHFFFAOYSA-N

Data  2 KI  2 IC50

  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 4 hits for monomerid = 50513912   

TargetCarbonic anhydrase 2(Human)
Isf College of Pharmacy

Curated by ChEMBL
LigandPNGBDBM50513912(CHEMBL4524569)
Affinity DataKi:  6.30nMAssay Description:Binding affinity to human CA2 assessed as inhibition constant using 4-nitrophenylacetate as substrate by spectrophotometry based esterase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetCarbonic anhydrase 2(Human)
Isf College of Pharmacy

Curated by ChEMBL
LigandPNGBDBM50513912(CHEMBL4524569)
Affinity DataIC50: 10nMAssay Description:Inhibition of human CA2 using 4-nitrophenylacetate as substrate by spectrophotometry based esterase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetCarbonic anhydrase 1(Human)
Isf College of Pharmacy

Curated by ChEMBL
LigandPNGBDBM50513912(CHEMBL4524569)
Affinity DataIC50: 12nMAssay Description:Inhibition of human CA1 using 4-nitrophenylacetate as substrate by spectrophotometry based esterase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetAcetylcholinesterase(Human)
Y. B. Chavan College of Pharmacy

Curated by ChEMBL
LigandPNGBDBM50513912(CHEMBL4524569)
Affinity DataKi:  61nMAssay Description:Inhibition of Acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate by Ellman's spectrophotometric methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed