BDBM50568590 CHEMBL4864240

SMILES Cc1ncc(n1CCNC(=S)NCCc1ccc(OS(N)(=O)=O)cc1)[N+]([O-])=O

InChI Key InChIKey=ABPBKTMCQQPUMR-UHFFFAOYSA-N

Data  1 KI  3 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 = 50568590   

TargetCarbonic anhydrase 1(Human)
Isf College of Pharmacy

Curated by ChEMBL
LigandPNGBDBM50568590(CHEMBL4864240)
Affinity DataIC50: 128nMAssay Description:Inhibition of human recombinant CA1 incubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration 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
LigandPNGBDBM50568590(CHEMBL4864240)
Affinity DataIC50: 59nMAssay Description:Inhibition of human recombinant CA2 incubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetCarbonic anhydrase 9(Human)
Isf College of Pharmacy

Curated by ChEMBL
LigandPNGBDBM50568590(CHEMBL4864240)
Affinity DataIC50: 643nMAssay Description:Inhibition of human recombinant CA9 incubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration 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
LigandPNGBDBM50568590(CHEMBL4864240)
Affinity DataKi:  128nMAssay Description:Inhibition of recombinant human carbonic anhydrase 1 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed