BDBM50513900 CHEMBL4444582

SMILES NS(=O)(=O)c1ccc(cc1)C(=O)n1[nH]c(=O)c2cc(F)ccc2c1=O

InChI Key InChIKey=XVKJOPXXXYXNMR-UHFFFAOYSA-N

Data  2 KI  2 IC50

  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 4 hits for monomerid = 50513900   

TargetCarbonic anhydrase 2(Homo sapiens (Human))
Isf College Of Pharmacy

Curated by ChEMBL
LigandPNGBDBM50513900(CHEMBL4444582)
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
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Y. B. Chavan College of Pharmacy

Curated by ChEMBL
LigandPNGBDBM50513900(CHEMBL4444582)
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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Isf College Of Pharmacy

Curated by ChEMBL
LigandPNGBDBM50513900(CHEMBL4444582)
Affinity DataIC50:  10nMAssay Description:Inhibition of human CA2 using 4-nitrophenylacetate as substrate by spectrophotometry based esterase assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Isf College Of Pharmacy

Curated by ChEMBL
LigandPNGBDBM50513900(CHEMBL4444582)
Affinity DataIC50:  12nMAssay Description:Inhibition of human CA1 using 4-nitrophenylacetate as substrate by spectrophotometry based esterase assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed