BDBM50547696 CHEMBL1209038

SMILES C1C2CC3CC1CC(C2)(C3)C(=O)Nc4nnc(s4)S(=O)(=O)N

InChI Key InChIKey=NBKDQESIWDNDOT-UHFFFAOYSA-N

Data  4 KI

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50547696   

TargetCarbonic anhydrase 9(Human)
University of Florida

Curated by ChEMBL
LigandPNGBDBM50547696(CHEMBL1209038)
Affinity DataKi:  6.40nMAssay 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
LigandPNGBDBM50547696(CHEMBL1209038)
Affinity DataKi:  11nMAssay 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
PubMed
TargetCarbonic anhydrase 4(Human)
University of Florida

Curated by ChEMBL
LigandPNGBDBM50547696(CHEMBL1209038)
Affinity DataKi:  349nMAssay 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 1(Human)
University of Florida

Curated by ChEMBL
LigandPNGBDBM50547696(CHEMBL1209038)
Affinity DataKi:  883nMAssay 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