BDBM50547697 CHEMBL4739913

SMILES C1CCC(CC1)C(=O)Nc2nnc(s2)S(=O)(=O)N

InChI Key InChIKey=JZWSZGVTKNYBGX-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 50547697   

TargetCarbonic anhydrase 4(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
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(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
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 9(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
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
University of Florida

Curated by ChEMBL
LigandPNGBDBM50547697(CHEMBL4739913)
Affinity DataKi:  20nMAssay Description:Inhibition of human carbonic anhydrase 2 assessed as inhibition constant by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 1(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
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed