BDBM50504762 CHEMBL4579505

SMILES CN1CCN(CC1)c1ccc(\C=N\NC(=O)c2nn(-c3ccc(cc3)S(N)(=O)=O)c3nc(C)cc(=O)n23)cc1

InChI Key InChIKey=KMLUCGSIPFSIST-UHFFFAOYSA-N

Data  4 KI

  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 = 50504762   

TargetCarbonic anhydrase 12(Human)
Egyptian Russian University

Curated by ChEMBL
LigandPNGBDBM50504762(CHEMBL4579505)
Affinity DataKi:  26nMAssay Description:Inhibition of recombinant human carbonic anhydrase-12 incubated for 15 mins by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 9(Human)
Egyptian Russian University

Curated by ChEMBL
LigandPNGBDBM50504762(CHEMBL4579505)
Affinity DataKi:  85nMAssay Description:Inhibition of recombinant human carbonic anhydrase-9 incubated for 15 mins by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
Egyptian Russian University

Curated by ChEMBL
LigandPNGBDBM50504762(CHEMBL4579505)
Affinity DataKi:  838nMAssay Description:Inhibition of recombinant human carbonic anhydrase-2 incubated for 15 mins by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Egyptian Russian University

Curated by ChEMBL
LigandPNGBDBM50504762(CHEMBL4579505)
Affinity DataKi:  4.95E+3nMAssay Description:Inhibition of recombinant human carbonic anhydrase-1 incubated for 15 mins by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed