BDBM50540932 CHEMBL4648531

SMILES CCCCCN(CCCCC)CCC(=O)N(CCc1ccccc1)CCc1ccc(cc1)S(N)(=O)=O

InChI Key InChIKey=LAVYDIRHIGPPCP-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 = 50540932   

TargetCarbonic anhydrase 12(Human)
University of Firenze

Curated by ChEMBL
LigandPNGBDBM50540932(CHEMBL4648531)
Affinity DataKi:  63nMAssay Description:Inhibition of human CA12 preincubated for 15 mins by stopped-flow CO2 hydration kinetic assay based Cheng-Prusoff equation analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
University of Firenze

Curated by ChEMBL
LigandPNGBDBM50540932(CHEMBL4648531)
Affinity DataKi:  518nMAssay Description:Inhibition of human CA1 preincubated for 15 mins by stopped-flow CO2 hydration kinetic assay based Cheng-Prusoff equation analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
University of Firenze

Curated by ChEMBL
LigandPNGBDBM50540932(CHEMBL4648531)
Affinity DataKi:  781nMAssay Description:Inhibition of human CA2 preincubated for 15 mins by stopped-flow CO2 hydration kinetic assay based Cheng-Prusoff equation analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 4(Human)
University of Firenze

Curated by ChEMBL
LigandPNGBDBM50540932(CHEMBL4648531)
Affinity DataKi:  3.41E+3nMAssay Description:Inhibition of human CA4 preincubated for 15 mins by stopped-flow CO2 hydration kinetic assay based Cheng-Prusoff equation analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed