BDBM50163868 CHEMBL3798303::carbonic anhydrase (CA) inhibitors, benzenesulphonamide ligand, 13

SMILES CCCS(=O)(=O)c1c(F)c(F)c(c(F)c1NC1CCCCCCC1)S(N)(=O)=O

InChI Key InChIKey=ZJGOYWHNZTVYMI-UHFFFAOYSA-N

Data  9 Kd  3 Koff  3 Kon

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 15 hits for monomerid = 50163868   

TargetCarbonic anhydrase 7(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163868(CHEMBL3798303 | carbonic anhydrase (CA) inhibitors...)
Show SMILES CCCS(=O)(=O)c1c(F)c(F)c(c(F)c1NC1CCCCCCC1)S(N)(=O)=O
Show InChI InChI=1S/C17H25F3N2O4S2/c1-2-10-27(23,24)17-13(19)12(18)16(28(21,25)26)14(20)15(17)22-11-8-6-4-3-5-7-9-11/h11,22H,2-10H2,1H3,(H2,21,25,26)
Affinity DataKoff:  4.90E+4s-1Assay Description:Binding affinity to human recombinant CA7 assessed as association rate constant after 30 secs by surface plasmon resonance assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163868(CHEMBL3798303 | carbonic anhydrase (CA) inhibitors...)
Show SMILES CCCS(=O)(=O)c1c(F)c(F)c(c(F)c1NC1CCCCCCC1)S(N)(=O)=O
Show InChI InChI=1S/C17H25F3N2O4S2/c1-2-10-27(23,24)17-13(19)12(18)16(28(21,25)26)14(20)15(17)22-11-8-6-4-3-5-7-9-11/h11,22H,2-10H2,1H3,(H2,21,25,26)
Affinity DataKon:  0.00200M-1s-1Assay Description:Binding affinity to human recombinant CA7 assessed as dissociation rate constant after 30 secs by surface plasmon resonance assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163868(CHEMBL3798303 | carbonic anhydrase (CA) inhibitors...)
Show SMILES CCCS(=O)(=O)c1c(F)c(F)c(c(F)c1NC1CCCCCCC1)S(N)(=O)=O
Show InChI InChI=1S/C17H25F3N2O4S2/c1-2-10-27(23,24)17-13(19)12(18)16(28(21,25)26)14(20)15(17)22-11-8-6-4-3-5-7-9-11/h11,22H,2-10H2,1H3,(H2,21,25,26)
Affinity DataKoff:  8.60E+4s-1Assay Description:Binding affinity to human recombinant CA2 expressed in Escherichia coli assessed as association rate constant after 30 secs by surface plasmon resona...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163868(CHEMBL3798303 | carbonic anhydrase (CA) inhibitors...)
Show SMILES CCCS(=O)(=O)c1c(F)c(F)c(c(F)c1NC1CCCCCCC1)S(N)(=O)=O
Show InChI InChI=1S/C17H25F3N2O4S2/c1-2-10-27(23,24)17-13(19)12(18)16(28(21,25)26)14(20)15(17)22-11-8-6-4-3-5-7-9-11/h11,22H,2-10H2,1H3,(H2,21,25,26)
Affinity DataKd:  40nMAssay Description:Binding affinity to human recombinant CA7 after 30 secs by surface plasmon resonance assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163868(CHEMBL3798303 | carbonic anhydrase (CA) inhibitors...)
Show SMILES CCCS(=O)(=O)c1c(F)c(F)c(c(F)c1NC1CCCCCCC1)S(N)(=O)=O
Show InChI InChI=1S/C17H25F3N2O4S2/c1-2-10-27(23,24)17-13(19)12(18)16(28(21,25)26)14(20)15(17)22-11-8-6-4-3-5-7-9-11/h11,22H,2-10H2,1H3,(H2,21,25,26)
Affinity DataKon:  0.00790M-1s-1Assay Description:Binding affinity to human recombinant CA13 assessed as dissociation rate constant after 30 secs by surface plasmon resonance assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163868(CHEMBL3798303 | carbonic anhydrase (CA) inhibitors...)
Show SMILES CCCS(=O)(=O)c1c(F)c(F)c(c(F)c1NC1CCCCCCC1)S(N)(=O)=O
Show InChI InChI=1S/C17H25F3N2O4S2/c1-2-10-27(23,24)17-13(19)12(18)16(28(21,25)26)14(20)15(17)22-11-8-6-4-3-5-7-9-11/h11,22H,2-10H2,1H3,(H2,21,25,26)
Affinity DataKd:  15nMAssay Description:Binding affinity to human recombinant CA13 after 30 secs by surface plasmon resonance assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163868(CHEMBL3798303 | carbonic anhydrase (CA) inhibitors...)
Show SMILES CCCS(=O)(=O)c1c(F)c(F)c(c(F)c1NC1CCCCCCC1)S(N)(=O)=O
Show InChI InChI=1S/C17H25F3N2O4S2/c1-2-10-27(23,24)17-13(19)12(18)16(28(21,25)26)14(20)15(17)22-11-8-6-4-3-5-7-9-11/h11,22H,2-10H2,1H3,(H2,21,25,26)
Affinity DataKd:  2.20nMAssay Description:Binding affinity to human recombinant CA13 by fluorescence-based thermal shift assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163868(CHEMBL3798303 | carbonic anhydrase (CA) inhibitors...)
Show SMILES CCCS(=O)(=O)c1c(F)c(F)c(c(F)c1NC1CCCCCCC1)S(N)(=O)=O
Show InChI InChI=1S/C17H25F3N2O4S2/c1-2-10-27(23,24)17-13(19)12(18)16(28(21,25)26)14(20)15(17)22-11-8-6-4-3-5-7-9-11/h11,22H,2-10H2,1H3,(H2,21,25,26)
Affinity DataKd:  1.10nMAssay Description:Binding affinity to human recombinant CA12 catalytic domain by fluorescence-based thermal shift assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163868(CHEMBL3798303 | carbonic anhydrase (CA) inhibitors...)
Show SMILES CCCS(=O)(=O)c1c(F)c(F)c(c(F)c1NC1CCCCCCC1)S(N)(=O)=O
Show InChI InChI=1S/C17H25F3N2O4S2/c1-2-10-27(23,24)17-13(19)12(18)16(28(21,25)26)14(20)15(17)22-11-8-6-4-3-5-7-9-11/h11,22H,2-10H2,1H3,(H2,21,25,26)
Affinity DataKd:  330nMAssay Description:Binding affinity to human recombinant CA1 expressed in Escherichia coli by fluorescence-based thermal shift assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163868(CHEMBL3798303 | carbonic anhydrase (CA) inhibitors...)
Show SMILES CCCS(=O)(=O)c1c(F)c(F)c(c(F)c1NC1CCCCCCC1)S(N)(=O)=O
Show InChI InChI=1S/C17H25F3N2O4S2/c1-2-10-27(23,24)17-13(19)12(18)16(28(21,25)26)14(20)15(17)22-11-8-6-4-3-5-7-9-11/h11,22H,2-10H2,1H3,(H2,21,25,26)
Affinity DataKon:  0.00870M-1s-1Assay Description:Binding affinity to human recombinant CA2 expressed in Escherichia coli assessed as dissociation rate constant after 30 secs by surface plasmon reson...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163868(CHEMBL3798303 | carbonic anhydrase (CA) inhibitors...)
Show SMILES CCCS(=O)(=O)c1c(F)c(F)c(c(F)c1NC1CCCCCCC1)S(N)(=O)=O
Show InChI InChI=1S/C17H25F3N2O4S2/c1-2-10-27(23,24)17-13(19)12(18)16(28(21,25)26)14(20)15(17)22-11-8-6-4-3-5-7-9-11/h11,22H,2-10H2,1H3,(H2,21,25,26)
Affinity DataKd:  3.20nMAssay Description:Binding affinity to human recombinant CA7 by fluorescence-based thermal shift assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163868(CHEMBL3798303 | carbonic anhydrase (CA) inhibitors...)
Show SMILES CCCS(=O)(=O)c1c(F)c(F)c(c(F)c1NC1CCCCCCC1)S(N)(=O)=O
Show InChI InChI=1S/C17H25F3N2O4S2/c1-2-10-27(23,24)17-13(19)12(18)16(28(21,25)26)14(20)15(17)22-11-8-6-4-3-5-7-9-11/h11,22H,2-10H2,1H3,(H2,21,25,26)
Affinity DataKd:  100nMAssay Description:Binding affinity to human recombinant CA2 expressed in Escherichia coli after 30 secs by surface plasmon resonance assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163868(CHEMBL3798303 | carbonic anhydrase (CA) inhibitors...)
Show SMILES CCCS(=O)(=O)c1c(F)c(F)c(c(F)c1NC1CCCCCCC1)S(N)(=O)=O
Show InChI InChI=1S/C17H25F3N2O4S2/c1-2-10-27(23,24)17-13(19)12(18)16(28(21,25)26)14(20)15(17)22-11-8-6-4-3-5-7-9-11/h11,22H,2-10H2,1H3,(H2,21,25,26)
Affinity DataKd:  20nMAssay Description:Binding affinity to human recombinant CA2 expressed in Escherichia coli by fluorescence-based thermal shift assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163868(CHEMBL3798303 | carbonic anhydrase (CA) inhibitors...)
Show SMILES CCCS(=O)(=O)c1c(F)c(F)c(c(F)c1NC1CCCCCCC1)S(N)(=O)=O
Show InChI InChI=1S/C17H25F3N2O4S2/c1-2-10-27(23,24)17-13(19)12(18)16(28(21,25)26)14(20)15(17)22-11-8-6-4-3-5-7-9-11/h11,22H,2-10H2,1H3,(H2,21,25,26)
Affinity DataKd:  0.00670nMAssay Description:Binding affinity to human recombinant CA9 catalytic domain by fluorescence-based thermal shift assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163868(CHEMBL3798303 | carbonic anhydrase (CA) inhibitors...)
Show SMILES CCCS(=O)(=O)c1c(F)c(F)c(c(F)c1NC1CCCCCCC1)S(N)(=O)=O
Show InChI InChI=1S/C17H25F3N2O4S2/c1-2-10-27(23,24)17-13(19)12(18)16(28(21,25)26)14(20)15(17)22-11-8-6-4-3-5-7-9-11/h11,22H,2-10H2,1H3,(H2,21,25,26)
Affinity DataKoff:  5.10E+5s-1Assay Description:Binding affinity to human recombinant CA13 assessed as association rate constant after 30 secs by surface plasmon resonance assayMore data for this Ligand-Target Pair