BDBM50589814 CHEMBL5172583

SMILES COc1cc(ccc1CN(CCc1ccc(cc1)S(N)(=O)=O)C(=O)c1ccc(cc1)-c1cssc1=S)[N+]([O-])=O

InChI Key InChIKey=KZSGDXTWOYBDNP-UHFFFAOYSA-N

Data  5 KI

  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 5 hits for monomerid = 50589814   

TargetCarbonic anhydrase 9(Human)
University of Firenze

Curated by ChEMBL
LigandPNGBDBM50589814(CHEMBL5172583)
Affinity DataKi:  4.10nMAssay Description:Inhibition of recombinant human CA9 pre-incubated for 15 mins by phenol red dye 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 12(Human)
University of Firenze

Curated by ChEMBL
LigandPNGBDBM50589814(CHEMBL5172583)
Affinity DataKi:  7.70nMAssay Description:Inhibition of recombinant human CA12 pre-incubated for 15 mins by phenol red dye 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)
University of Firenze

Curated by ChEMBL
LigandPNGBDBM50589814(CHEMBL5172583)
Affinity DataKi:  2.95E+3nMAssay Description:Inhibition of recombinant human CA2 pre-incubated for 15 mins by phenol red dye 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 4(Human)
University of Firenze

Curated by ChEMBL
LigandPNGBDBM50589814(CHEMBL5172583)
Affinity DataKi:  4.09E+3nMAssay Description:Inhibition of recombinant human CA4 pre-incubated for 15 mins by phenol red dye 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)
University of Firenze

Curated by ChEMBL
LigandPNGBDBM50589814(CHEMBL5172583)
Affinity DataKi:  6.70E+3nMAssay Description:Inhibition of recombinant human CA1 pre-incubated for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed