BDBM50547697 CHEMBL4739913

SMILES NS(=O)(=O)c1nnc(NC(=O)C2CCCCC2)s1

InChI Key InChIKey=JZWSZGVTKNYBGX-UHFFFAOYSA-N

Data  4 KI

PDB links: 3 PDB IDs match 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 = 50547697   

TargetCarbonic anhydrase 4(Homo sapiens (Human))
University Of Florida

Curated by ChEMBL
LigandPNGBDBM50547697(CHEMBL4739913)
Affinity DataKi:  0.360nMAssay Description:Inhibition of recombinant human CA4 expressed in Escherichia coli BL21 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
University Of Florida

Curated by ChEMBL
LigandPNGBDBM50547697(CHEMBL4739913)
Affinity DataKi:  0.530nMAssay Description:Inhibition of recombinant human CA2 expressed in Escherichia coli BL21 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCarbonic anhydrase 9(Homo sapiens (Human))
University Of Florida

Curated by ChEMBL
LigandPNGBDBM50547697(CHEMBL4739913)
Affinity DataKi:  16nMAssay Description:Inhibition of recombinant human CA9 expressed in Escherichia coli BL21 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
University Of Florida

Curated by ChEMBL
LigandPNGBDBM50547697(CHEMBL4739913)
Affinity DataKi:  63nMAssay Description:Inhibition of recombinant human CA1 expressed in Escherichia coli BL21 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed