BDBM50429899 CHEMBL2333416

SMILES NS(=O)(=O)c1c(F)c(F)c(SCCO)c(F)c1F

InChI Key InChIKey=DKTDBVHOWVECPE-UHFFFAOYSA-N

Data  1 KI  1 IC50  40 Kd  5 Koff

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 47 hits for monomerid = 50429899   

TargetCarbonic anhydrase 2(Human)
Vilnius University Institute of Biotechnology

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKi:  3.5nMAssay Description:Inhibition of human recombinant CA2 incubated for 15 mins by stop flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Horse)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd:  0.00320nMAssay 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 3(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd:  2.90E+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(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd:  590nMAssay 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(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd:  330nMAssay 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(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd:  1.30nMAssay 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(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd:  200nMAssay 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(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd:  46nMAssay 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(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd:  32nMAssay Description:Inhibition of human carbonic anhydrase 9 at pH7 and 37 degC by fluorescent thermal shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd:  63nMAssay 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
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd:  220nMAssay Description:Inhibition of human carbonic anhydrase 12 at pH7 and 37 degC by fluorescent thermal shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd:  310nMAssay 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
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 13(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd:  8.30nMAssay Description:Inhibition of human carbonic anhydrase 13 at pH7 and 37 degC by fluorescent thermal shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 14(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd:  1.30nMAssay 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(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd: <10nMAssay Description:Inhibition of human carbonic anhydrase 1 at pH7 and 37 degC by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Human)
Vilnius University Institute of Biotechnology

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd: <10nMAssay Description:Inhibition of human carbonic anhydrase 2 at pH7 and 37 degC by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 7(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd:  59nMAssay 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(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd:  57nMAssay Description:Inhibition of human carbonic anhydrase 9 at pH7 and 37 degC by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd:  12nMAssay 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
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd:  94nMAssay Description:Inhibition of human carbonic anhydrase 12 at pH7 and 37 degC by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 13(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd:  18nMAssay Description:Inhibition of human carbonic anhydrase 13 at pH7 and 37 degC by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd: <50nMAssay Description:Inhibition of human carbonic anhydrase 1 at pH7 and 25 degC by stopped-flow kinetic inhibition assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Human)
Vilnius University Institute of Biotechnology

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd: <5nMAssay Description:Inhibition of human carbonic anhydrase 2 at pH7 and 25 degC by stopped-flow kinetic inhibition assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd:  25nMAssay Description:Inhibition of human carbonic anhydrase 9 at pH7 and 25 degC by stopped-flow kinetic inhibition assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
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
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd:  110nMAssay Description:Inhibition of human carbonic anhydrase 12 at pH7 and 25 degC by stopped-flow kinetic inhibition assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 13(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
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
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Human)
Vilnius University Institute of Biotechnology

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataIC50:  10nMAssay Description:Inhibition of human recombinant CA2 incubated for 15 mins by stop flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 13(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd:  18nMpH: 7.0Assay Description:Binding affinity to human recombinant CA13 at 37 degC and pH 7.0 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd:  94nMpH: 7.0Assay Description:Binding affinity to human recombinant CA12 at 37 degC and pH 7.0 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 7(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd:  59nMpH: 7.0Assay Description:Binding affinity to human recombinant CA7 at 37 degC and pH 7.0 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 13(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd:  8.30nMpH: 7.0Assay Description:Binding affinity to human recombinant CA13 at 37 degC and pH 7.0 by thermal shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd:  220nMpH: 7.0Assay Description:Binding affinity to human recombinant CA12 at 37 degC and pH 7.0 by thermal shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 7(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd:  46nMpH: 7.0Assay Description:Binding affinity to human recombinant CA7 at 37 degC and pH 7.0 by thermal shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd:  0.110nMpH: 7.0Assay Description:Binding affinity to human recombinant CA1 at 37 degC and pH 7.0 by thermal shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Human)
Vilnius University Institute of Biotechnology

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd:  6.70nMpH: 7.0Assay Description:Binding affinity to human recombinant CA2 at 37 degC and pH 7.0 by thermal shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKon:  0.0250M-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 1(Rhesus macaque)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKon:  0.0000270M-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 7(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKon:  0.0330M-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(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKon:  0.000760M-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(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd:  0.190nMAssay 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 9(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd:  0.25nMAssay 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 12(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd:  0.580nMAssay 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 9(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKon:  0.110M-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(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd:  0.0500nMAssay 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 1(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd:  0.110nMAssay Description:Inhibition of human carbonic anhydrase 1 at pH7 and 37 degC by fluorescent thermal shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Human)
Vilnius University Institute of Biotechnology

Curated by ChEMBL
LigandPNGBDBM50429899(CHEMBL2333416)
Affinity DataKd:  6.70nMAssay Description:Inhibition of human carbonic anhydrase 2 at pH7 and 37 degC by fluorescent thermal shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed