BDBM50163861 CHEMBL3799945::carbonic anhydrase (CA) inhibitors, benzenesulphonamide ligand, 15

SMILES COc1ccc(CNc2c(F)c(F)c(F)c(F)c2S(N)(=O)=O)cc1

InChI Key InChIKey=QHALTIVQQSUKFD-UHFFFAOYSA-N

Data  16 Kd  10 Koff  5 Kon

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50163861   

TargetCarbonic anhydrase 1(Macaca mulatta)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163861(CHEMBL3799945 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.00660M-1s-1Assay Description:Binding affinity to CA1 (unknown origin) assessed as dissociation rate constant at pH 7 by SPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163861(CHEMBL3799945 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  1.30nMAssay Description:Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163861(CHEMBL3799945 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.0260M-1s-1Assay Description:Binding affinity to human full length His-tagged CA2 (1 to 260 residues) expressed in Escherichia coli BL21(DE3) assessed as dissociation rate consta...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163861(CHEMBL3799945 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  59nMAssay Description:Binding affinity to CA7 (unknown origin) assessed as intrinsic thermodynamic equilibrium constant at pH 7 by SPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Equus caballus)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163861(CHEMBL3799945 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  2.40nMAssay Description:Binding affinity to CA1 (unknown origin) assessed as intrinsic thermodynamic equilibrium constant at pH 7 by SPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163861(CHEMBL3799945 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  1nMAssay Description:Binding affinity to human full length His-tagged CA2 (1 to 260 residues) expressed in Escherichia coli BL21(DE3) assessed as intrinsic thermodynamic ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163861(CHEMBL3799945 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  8.70nMAssay 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 DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163861(CHEMBL3799945 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.260M-1s-1Assay Description:Binding affinity to human CA9 catalytic domain expressed in mammalian expression system assessed as dissociation rate constant at pH 7 by SPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163861(CHEMBL3799945 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.0220M-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 DepthDetails ArticlePubMed
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163861(CHEMBL3799945 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.140M-1s-1Assay Description:Binding affinity to CA7 (unknown origin) assessed as dissociation rate constant at pH 7 by SPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed