BDBM50163860 CHEMBL3797893::carbonic anhydrase (CA) inhibitors, benzenesulphonamide ligand, 16

SMILES C1CCN(CC1)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F

InChI Key InChIKey=VVFJHOCIYNHEFY-UHFFFAOYSA-N

Data  16 Kd  10 Koff  5 Kon

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50163860   

TargetCarbonic anhydrase 13(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163860(carbonic anhydrase (CA) inhibitors, benzenesulphon...)
Affinity DataKon:  0.0110M-1s-1Assay Description:Binding affinity to human N-terminal full length His-tagged CA13 (1 to 262 residues) expressed in Escherichia coli BL21(DE3) assessed as dissociation...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2019
Entry Details Article
PubMed
TargetCarbonic anhydrase 13(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163860(carbonic anhydrase (CA) inhibitors, benzenesulphon...)
Affinity DataKd:  0.910nMAssay Description:Binding affinity to human N-terminal full length His-tagged CA13 (1 to 262 residues) expressed in Escherichia coli BL21(DE3) assessed as intrinsic th...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2019
Entry Details Article
PubMed
TargetCarbonic anhydrase 13(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163860(carbonic anhydrase (CA) inhibitors, benzenesulphon...)
Affinity DataKd:  4nMAssay Description:Binding affinity to human recombinant CA13 by fluorescence-based thermal shift assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/10/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 13(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163860(carbonic anhydrase (CA) inhibitors, benzenesulphon...)
Affinity DataKd:  11nMAssay Description:Binding affinity to human recombinant CA13 after 30 secs by surface plasmon resonance assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/10/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 13(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163860(carbonic anhydrase (CA) inhibitors, benzenesulphon...)
Affinity DataKon:  0.0110M-1s-1Assay Description:Binding affinity to human recombinant CA13 assessed as dissociation rate constant after 30 secs by surface plasmon resonance assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/10/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 13(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163860(carbonic anhydrase (CA) inhibitors, benzenesulphon...)
Affinity DataKoff:  9.20E+5s-1Assay Description:Binding affinity to human recombinant CA13 assessed as association rate constant after 30 secs by surface plasmon resonance assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/10/2017
Entry Details Article
PubMed