BDBM50031589 CHEMBL3359179

SMILES NS(=O)(=O)c1c(F)c(F)c(SCCO)c(F)c1NC1CCCCCCC1

InChI Key InChIKey=ZUTOCUUMVDYVHW-UHFFFAOYSA-N

Data  31 Kd  4 Koff

PDB links: 7 PDB IDs match this monomer.

  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 35 hits for monomerid = 50031589   

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

Curated by ChEMBL
LigandPNGBDBM50031589(CHEMBL3359179)
Affinity DataKd:  5.00E+4nMAssay 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 9(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031589(CHEMBL3359179)
Affinity DataKd:  0.180nMAssay 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
LigandPNGBDBM50031589(CHEMBL3359179)
Affinity DataKd: >2.00E+5nMAssay 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
LigandPNGBDBM50031589(CHEMBL3359179)
Affinity DataKd:  1.70E+3nMAssay 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
LigandPNGBDBM50031589(CHEMBL3359179)
Affinity DataKd:  3.30E+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
LigandPNGBDBM50031589(CHEMBL3359179)
Affinity DataKd:  210nMAssay 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
LigandPNGBDBM50031589(CHEMBL3359179)
Affinity DataKd:  4.30E+3nMAssay 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
LigandPNGBDBM50031589(CHEMBL3359179)
Affinity DataKd:  330nMAssay 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
LigandPNGBDBM50031589(CHEMBL3359179)
Affinity DataKd:  1.10nMAssay 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
LigandPNGBDBM50031589(CHEMBL3359179)
Affinity DataKd:  25nMAssay 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
LigandPNGBDBM50031589(CHEMBL3359179)
Affinity DataKd:  330nMAssay 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(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031589(CHEMBL3359179)
Affinity DataKd:  500nMAssay 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(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031589(CHEMBL3359179)
Affinity DataKd:  140nMAssay 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
LigandPNGBDBM50031589(CHEMBL3359179)
Affinity DataKd:  26nMAssay 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
LigandPNGBDBM50031589(CHEMBL3359179)
Affinity DataKd: >1.00E+4nMAssay 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(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031589(CHEMBL3359179)
Affinity DataKd:  730nMAssay 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
LigandPNGBDBM50031589(CHEMBL3359179)
Affinity DataKd:  1.00E+3nMAssay 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
LigandPNGBDBM50031589(CHEMBL3359179)
Affinity DataKd:  15nMAssay 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
LigandPNGBDBM50031589(CHEMBL3359179)
Affinity DataKd:  22nMAssay 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
LigandPNGBDBM50031589(CHEMBL3359179)
Affinity DataKd:  230nMAssay 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(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031589(CHEMBL3359179)
Affinity DataKd:  420nMAssay 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
LigandPNGBDBM50031589(CHEMBL3359179)
Affinity DataKd:  4.60E+4nMAssay 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(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031589(CHEMBL3359179)
Affinity DataKd:  910nMAssay 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
LigandPNGBDBM50031589(CHEMBL3359179)
Affinity DataKd: <5nMAssay 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
LigandPNGBDBM50031589(CHEMBL3359179)
Affinity DataKd:  15nMAssay 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
LigandPNGBDBM50031589(CHEMBL3359179)
Affinity DataKd:  170nMAssay 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(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031589(CHEMBL3359179)
Affinity DataKd:  130nMAssay 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
LigandPNGBDBM50031589(CHEMBL3359179)
Affinity DataKon:  0.0100M-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
LigandPNGBDBM50031589(CHEMBL3359179)
Affinity DataKon:  0.000330M-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
LigandPNGBDBM50031589(CHEMBL3359179)
Affinity DataKon:  0.0500M-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))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031589(CHEMBL3359179)
Affinity DataKon:  0.00770M-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
LigandPNGBDBM50031589(CHEMBL3359179)
Affinity DataKd:  4.90nMAssay 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))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031589(CHEMBL3359179)
Affinity DataKd:  3.80nMAssay 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))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50031589(CHEMBL3359179)
Affinity DataKd:  1nMAssay 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
LigandPNGBDBM50031589(CHEMBL3359179)
Affinity DataKd:  1.30E+3nMAssay Description:Inhibition of human carbonic anhydrase 2 at pH7 and 37 degC by fluorescent thermal shift assayMore data for this Ligand-Target Pair