BDBM50591297 CHEMBL5171860

SMILES NS(=O)(=O)c1ccc(OCCNCC2COc3ccccc3O2)cc1

InChI Key InChIKey=VMAOHQJKELRYDZ-UHFFFAOYSA-N

Data  6 KI  1 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 7 hits for monomerid = 50591297   

TargetCarbonic anhydrase 2(Human)
University of Milan

Curated by ChEMBL
LigandPNGBDBM50591297(CHEMBL5171860)
Affinity DataKi:  7.20nMAssay Description:Inhibition of human recombinant CA2 assessed as inhibition constant pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetCarbonic anhydrase 9(Human)
University of Milan

Curated by ChEMBL
LigandPNGBDBM50591297(CHEMBL5171860)
Affinity DataKi:  20nMAssay Description:Inhibition of human recombinant CA9 assessed as inhibition constant pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetCarbonic anhydrase 5A, mitochondrial(Human)
University of Milan

Curated by ChEMBL
LigandPNGBDBM50591297(CHEMBL5171860)
Affinity DataKi:  78nMAssay Description:Inhibition of human recombinant CA5A assessed as inhibition constant pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetCarbonic anhydrase 1(Human)
University of Milan

Curated by ChEMBL
LigandPNGBDBM50591297(CHEMBL5171860)
Affinity DataKi:  85nMAssay Description:Inhibition of human recombinant CA1 assessed as inhibition constant pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetCarbonic anhydrase 5B, mitochondrial(Human)
University of Milan

Curated by ChEMBL
LigandPNGBDBM50591297(CHEMBL5171860)
Affinity DataKi:  90nMAssay Description:Inhibition of human recombinant CA5B assessed as inhibition constant pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetCarbonic anhydrase 4(Human)
University of Milan

Curated by ChEMBL
LigandPNGBDBM50591297(CHEMBL5171860)
Affinity DataKi:  291nMAssay Description:Inhibition of human recombinant CA4 assessed as inhibition constant pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetDipeptidyl peptidase 4(Human)
University of Milan

Curated by ChEMBL
LigandPNGBDBM50591297(CHEMBL5171860)
Affinity DataIC50: 7.00E+5nMAssay Description:Inhibition of human recombinant DPP4 using H-Gly-Pro-AMC as substrate incubated for 30 mins by fluorescence based microplate reader assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed