BDBM50503794 CHEMBL4577083

SMILES Cc1cc(c(C)cc1N1CC(CC1=O)C(O)=O)S(N)(=O)=O

InChI Key InChIKey=MTHLUECOFDPPBS-UHFFFAOYSA-N

Data  22 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 22 hits for monomerid = 50503794   

TargetCarbonic anhydrase 4(Human)
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503794(CHEMBL4577083)
Affinity DataKd:  1.90E+4nMAssay Description:Binding affinity to recombinant human CA4 by DSF-based fluorescence thermal shift assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 4(Human)
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503794(CHEMBL4577083)
Affinity DataKd:  4.10nMAssay 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
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 9(Human)
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503794(CHEMBL4577083)
Affinity DataKd:  0.550nMAssay 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
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 6(Human)
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503794(CHEMBL4577083)
Affinity DataKd:  1.5nMAssay 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
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 14(Human)
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503794(CHEMBL4577083)
Affinity DataKd:  3.90E+3nMAssay Description:Binding affinity to recombinant N-terminal His6x-tagged human CA14 (20 to 280 residues) catalytic domain expressed in Escherichia coli Rosetta 2 (DE3...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 7(Human)
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503794(CHEMBL4577083)
Affinity DataKd:  0.780nMAssay 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
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 9(Human)
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503794(CHEMBL4577083)
Affinity DataKd:  2.60E+3nMAssay Description:Binding affinity to recombinant human CA9 by DSF-based fluorescence thermal shift assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503794(CHEMBL4577083)
Affinity DataKd:  6.40E+3nMAssay Description:Binding affinity to recombinant human CA2 by DSF-based fluorescence thermal shift assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 3(Human)
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503794(CHEMBL4577083)
Affinity DataKd:  29nMAssay Description:Binding affinity to recombinant N-terminal His6x-tagged human CA3 (4 to 260 residues) expressed in Escherichia coli BL21(DE3) assessed as intrinsic d...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 7(Human)
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503794(CHEMBL4577083)
Affinity DataKd:  2.70E+3nMAssay Description:Binding affinity to recombinant human CA7 by DSF-based fluorescence thermal shift assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 6(Human)
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503794(CHEMBL4577083)
Affinity DataKd:  2.20E+4nMAssay Description:Binding affinity to recombinant human CA6 by DSF-based fluorescence thermal shift assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 13(Human)
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503794(CHEMBL4577083)
Affinity DataKd:  0.460nMAssay 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
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 3(Human)
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503794(CHEMBL4577083)
Affinity DataKd:  1.60E+5nMAssay Description:Binding affinity to recombinant N-terminal His6x-tagged human CA3 (4 to 260 residues) expressed in Escherichia coli BL21(DE3) by DSF-based fluorescen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503794(CHEMBL4577083)
Affinity DataKd:  3.80E+4nMAssay Description:Binding affinity to recombinant human CA1 by DSF-based fluorescence thermal shift assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 12(Human)
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503794(CHEMBL4577083)
Affinity DataKd:  8.10E+3nMAssay Description:Binding affinity to recombinant human CA12 by DSF-based fluorescence thermal shift assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 5B, mitochondrial(Human)
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503794(CHEMBL4577083)
Affinity DataKd:  0.410nMAssay 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
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503794(CHEMBL4577083)
Affinity DataKd:  2.10nMAssay 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
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503794(CHEMBL4577083)
Affinity DataKd:  26nMAssay 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
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 14(Human)
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503794(CHEMBL4577083)
Affinity DataKd:  0.330nMAssay Description:Binding affinity to recombinant N-terminal His6x-tagged human CA14 (20 to 280 residues) catalytic domain expressed in Escherichia coli Rosetta 2 (DE3...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 5B, mitochondrial(Human)
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503794(CHEMBL4577083)
Affinity DataKd:  1.10E+3nMAssay 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
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 13(Human)
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503794(CHEMBL4577083)
Affinity DataKd:  670nMAssay Description:Binding affinity to recombinant human CA13 by DSF-based fluorescence thermal shift assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 12(Human)
Kaunas University of Technology

Curated by ChEMBL
LigandPNGBDBM50503794(CHEMBL4577083)
Affinity DataKd:  2.40nMAssay 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
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed