BDBM50503798 CHEMBL4517728

SMILES Cc1cc(NCC(CC(O)=O)c2n[nH]c(=S)n2-c2ccccc2)c(Cl)c(C)c1S(N)(=O)=O

InChI Key InChIKey=CVAPWQUGPIGKOD-UHFFFAOYSA-N

Data  18 Kd

  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 18 hits for monomerid = 50503798   

TargetCarbonic anhydrase 9(Homo sapiens (Human))
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503798(CHEMBL4517728)
Affinity DataKd:  0.0450nMAssay Description:Binding affinity to recombinant human CA9 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503798(CHEMBL4517728)
Affinity DataKd:  1.00E+4nMAssay Description:Binding affinity to recombinant full length N-terminal His6x-tagged human CA5B expressed in Escherichia coli Rosetta 2 (DE3) by DSF-based fluorescenc...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503798(CHEMBL4517728)
Affinity DataKd:  0.470nMAssay Description:Binding affinity to recombinant human CA7 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503798(CHEMBL4517728)
Affinity DataKd:  0.200nMAssay Description:Binding affinity to recombinant human CA13 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503798(CHEMBL4517728)
Affinity DataKd:  5.90nMAssay Description:Binding affinity to recombinant human CA1 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503798(CHEMBL4517728)
Affinity DataKd:  1.20nMAssay Description:Binding affinity to recombinant human CA2 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503798(CHEMBL4517728)
Affinity DataKd:  0.790nMAssay Description:Binding affinity to recombinant full length N-terminal His6x-tagged human CA5B expressed in Escherichia coli Rosetta 2 (DE3) assessed as intrinsic di...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503798(CHEMBL4517728)
Affinity DataKd:  1.00E+3nMAssay Description:Binding affinity to recombinant human CA9 by DSF-based fluorescence thermal shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503798(CHEMBL4517728)
Affinity DataKd:  2.50E+3nMAssay Description:Binding affinity to recombinant human CA12 by DSF-based fluorescence thermal shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503798(CHEMBL4517728)
Affinity DataKd:  1.40E+3nMAssay Description:Binding affinity to recombinant human CA13 by DSF-based fluorescence thermal shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503798(CHEMBL4517728)
Affinity DataKd:  4.00E+4nMAssay Description:Binding affinity to recombinant human CA1 by DSF-based fluorescence thermal shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503798(CHEMBL4517728)
Affinity DataKd:  1.70E+4nMAssay Description:Binding affinity to recombinant human CA2 by DSF-based fluorescence thermal shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503798(CHEMBL4517728)
Affinity DataKd:  7.70E+3nMAssay Description:Binding affinity to recombinant human CA7 by DSF-based fluorescence thermal shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503798(CHEMBL4517728)
Affinity DataKd:  1.00E+4nMAssay Description:Binding affinity to recombinant human CA4 by DSF-based fluorescence thermal shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503798(CHEMBL4517728)
Affinity DataKd:  1.00E+4nMAssay Description:Binding affinity to recombinant human CA6 by DSF-based fluorescence thermal shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503798(CHEMBL4517728)
Affinity DataKd:  0.150nMAssay Description:Binding affinity to recombinant human CA12 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503798(CHEMBL4517728)
Affinity DataKd:  0.450nMAssay Description:Binding affinity to recombinant human CA4 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503798(CHEMBL4517728)
Affinity DataKd:  0.140nMAssay Description:Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed