BDBM50163866 CHEMBL3798473::carbonic anhydrase (CA) inhibitors, benzenesulphonamide ligand, 15

SMILES CC(C)(C)Nc1c(F)c(c(F)c(F)c1S(=O)(=O)CCc1ccccc1)S(N)(=O)=O

InChI Key InChIKey=CJDUPRNCZCQKOG-UHFFFAOYSA-N

Data  12 Kd  6 Koff  2 Kon

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50163866   

TargetCarbonic anhydrase 9(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163866(CHEMBL3798473 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKoff:  7.00E+5s-1Assay Description:Binding affinity to human recombinant CA9 catalytic domain assessed as association rate constant after 30 secs by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163866(CHEMBL3798473 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.0000180M-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
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163866(CHEMBL3798473 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.0110M-1s-1Assay Description:Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation rate constant after 30 secs by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163866(CHEMBL3798473 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  59nMAssay Description:Binding affinity to human recombinant CA12 catalytic domain after 30 secs by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163866(CHEMBL3798473 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  1.5nMAssay Description:Binding affinity to human recombinant CA13 by fluorescence-based thermal shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163866(CHEMBL3798473 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  17nMAssay Description:Binding affinity to human recombinant CA12 catalytic domain by fluorescence-based thermal shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163866(CHEMBL3798473 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  220nMAssay Description:Binding affinity to human recombinant CA1 expressed in Escherichia coli by fluorescence-based thermal shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163866(CHEMBL3798473 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  0.0770nMAssay Description:Binding affinity to human recombinant CA7 by fluorescence-based thermal shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163866(CHEMBL3798473 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.00640M-1s-1Assay Description:Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation rate constant after 30 secs by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163866(CHEMBL3798473 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  0.590nMAssay Description:Binding affinity to human recombinant CA2 expressed in Escherichia coli by fluorescence-based thermal shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163866(CHEMBL3798473 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  9.20nMAssay Description:Binding affinity to human recombinant CA9 catalytic domain after 30 secs by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163866(CHEMBL3798473 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  0.200nMAssay Description:Binding affinity to human recombinant CA9 catalytic domain by fluorescence-based thermal shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163866(CHEMBL3798473 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.0110M-1s-1Assay Description:Binding affinity to CA12 (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))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163866(CHEMBL3798473 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  0.340nMAssay Description:Binding affinity to human CA9 catalytic domain expressed in mammalian expression system assessed as intrinsic thermodynamic equilibrium constant at p...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163866(CHEMBL3798473 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  0.000410nMAssay 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 12(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163866(CHEMBL3798473 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  3.20nMAssay Description:Binding affinity to CA12 (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 13(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163866(CHEMBL3798473 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  0.830nMAssay 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))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163866(CHEMBL3798473 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.00640M-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))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163866(CHEMBL3798473 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.000380M-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 12(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163866(CHEMBL3798473 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKoff:  1.80E+5s-1Assay Description:Binding affinity to human recombinant CA12 catalytic domain assessed as association rate constant after 30 secs by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed