BDBM50540936 CHEMBL4649113

SMILES c1ccc(cc1)CCN(CCC#N)CC(=O)N(CCc2ccccc2)CCc3ccc(cc3)S(=O)(=O)N

InChI Key InChIKey=XZPNEWBDLFUWEA-UHFFFAOYSA-N

Data  4 KI

PDB links: 1 PDB ID matches this monomer.

  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 = 50540936   

TargetCarbonic anhydrase 12(Human)
University of Firenze

Curated by ChEMBL
LigandPNGBDBM50540936(CHEMBL4649113)
Affinity DataKi:  76nMAssay 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 2(Human)
University of Firenze

Curated by ChEMBL
LigandPNGBDBM50540936(CHEMBL4649113)
Affinity DataKi:  369nMAssay 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
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 1(Human)
University of Firenze

Curated by ChEMBL
LigandPNGBDBM50540936(CHEMBL4649113)
Affinity DataKi:  777nMAssay 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 4(Human)
University of Firenze

Curated by ChEMBL
LigandPNGBDBM50540936(CHEMBL4649113)
Affinity DataKi: >1.00E+4nMAssay 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