BDBM50031588 CHEMBL3359181

SMILES NS(=O)(=O)c1c(F)c(F)c(c(NC2CCCCCCC2)c1F)S(=O)(=O)CCO

InChI Key InChIKey=HFJJAVOBUVMVFQ-UHFFFAOYSA-N

Data  32 Kd  5 Koff

PDB links: 10 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 37 hits for monomerid = 50031588   

TargetCarbonic anhydrase 1(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKd:  710nMAssay Description:Inhibition of human carbonic anhydrase 1 at pH7 and 37 degC by fluorescent thermal shift assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKd:  0.0000190nMAssay 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
TargetCarbonic anhydrase 3(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKd:  4.00E+4nMAssay Description:Inhibition of human carbonic anhydrase 3 at pH7 and 37 degC by fluorescent thermal shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKd:  25nMAssay Description:Inhibition of human carbonic anhydrase 4 at pH7 and 37 degC by fluorescent thermal shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKd:  2.50E+3nMAssay Description:Inhibition of human carbonic anhydrase 5A at pH7 and 37 degC by fluorescent thermal shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKd:  5.60nMAssay Description:Inhibition of human carbonic anhydrase 5B at pH7 and 37 degC by fluorescent thermal shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKd:  95nMAssay Description:Inhibition of human carbonic anhydrase 6 at pH7 and 37 degC by fluorescent thermal shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKd:  9.80nMAssay Description:Inhibition of human carbonic anhydrase 7 at pH7 and 37 degC by fluorescent thermal shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKd:  0.0500nMAssay Description:Inhibition of human carbonic anhydrase 9 at pH7 and 37 degC by fluorescent thermal shift assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKd:  2nMAssay Description:Inhibition of chimeric carbonic anhydrase 9 (unknown origin) expressing with full length CA2 (1 to 260) at pH7 and 37 degC by fluorescent thermal shi...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKd:  3.30nMAssay Description:Inhibition of human carbonic anhydrase 12 at pH7 and 37 degC by fluorescent thermal shift assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKd:  6.70nMAssay Description:Inhibition of chimeric carbonic anhydrase 12 (unknown origin) expressing with full length CA2 (1 to 260) at pH7 and 37 degC by fluorescent thermal sh...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKd:  3.60nMAssay Description:Inhibition of human carbonic anhydrase 13 at pH7 and 37 degC by fluorescent thermal shift assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 14(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKd:  0.160nMAssay Description:Inhibition of human carbonic anhydrase 14 at pH7 and 37 degC by fluorescent thermal shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKd:  1.10E+3nMAssay Description:Inhibition of human carbonic anhydrase 1 at pH7 and 37 degC by isothermal titration calorimetryMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKd:  59nMAssay Description:Inhibition of human carbonic anhydrase 2 at pH7 and 37 degC by isothermal titration calorimetryMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKd:  140nMAssay Description:Inhibition of human carbonic anhydrase 7 at pH7 and 37 degC by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKd: <10nMAssay Description:Inhibition of human carbonic anhydrase 9 at pH7 and 37 degC by isothermal titration calorimetryMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKd:  7.30nMAssay Description:Inhibition of chimeric carbonic anhydrase 9 (unknown origin) expressing with full length CA2 (1 to 260) at pH7 and 37 degC by isothermal titration ca...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKd:  20nMAssay Description:Inhibition of human carbonic anhydrase 12 at pH7 and 37 degC by isothermal titration calorimetryMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKd:  42nMAssay Description:Inhibition of human carbonic anhydrase 13 at pH7 and 37 degC by isothermal titration calorimetryMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKd:  560nMAssay Description:Inhibition of human carbonic anhydrase 1 at pH7 and 25 degC by stopped-flow kinetic inhibition assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKd:  29nMAssay Description:Inhibition of human carbonic anhydrase 2 at pH7 and 25 degC by stopped-flow kinetic inhibition assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKd: <10nMAssay Description:Inhibition of human carbonic anhydrase 9 at pH7 and 25 degC by stopped-flow kinetic inhibition assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKd: <5nMAssay Description:Inhibition of chimeric carbonic anhydrase 9 (unknown origin) expressing with full length CA2 (1 to 260) at pH7 and 25 degC by stopped-flow kinetic in...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKd: <10nMAssay Description:Inhibition of human carbonic anhydrase 12 at pH7 and 25 degC by stopped-flow kinetic inhibition assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKd: <10nMAssay Description:Inhibition of human carbonic anhydrase 13 at pH7 and 25 degC by stopped-flow kinetic inhibition assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKon:  0.00200M-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 13(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKon:  0.00790M-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
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKon:  0.000530M-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
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKon:  0.0000130M-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
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKd:  1.70nMAssay 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 2(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKd:  4.80nMAssay 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
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKd:  0.00450nMAssay 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
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKon:  0.00870M-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
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKd:  2nMAssay 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
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031588(CHEMBL3359181)
Affinity DataKd:  60nMAssay Description:Inhibition of human carbonic anhydrase 2 at pH7 and 37 degC by fluorescent thermal shift assayMore data for this Ligand-Target Pair