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
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Carbonic anhydrase 7 (Homo sapiens (Human)) | BDBM50163868 (CHEMBL3798303 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | n/a | n/a | 4.90E+4 | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA7 assessed as association rate constant after 30 secs by surface plasmon resonance assay | J Med Chem 59: 2083-93 (2016) BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 7 (Homo sapiens (Human)) | BDBM50163868 (CHEMBL3798303 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | n/a | 0.00200 | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA7 assessed as dissociation rate constant after 30 secs by surface plasmon resonance assay | J Med Chem 59: 2083-93 (2016) BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50163868 (CHEMBL3798303 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | n/a | n/a | 8.60E+4 | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA2 expressed in Escherichia coli assessed as association rate constant after 30 secs by surface plasmon resona... | J Med Chem 59: 2083-93 (2016) BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 7 (Homo sapiens (Human)) | BDBM50163868 (CHEMBL3798303 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA7 after 30 secs by surface plasmon resonance assay | J Med Chem 59: 2083-93 (2016) BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human)) | BDBM50163868 (CHEMBL3798303 | carbonic anhydrase (CA) inhibitors...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | n/a | 0.00790 | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA13 assessed as dissociation rate constant after 30 secs by surface plasmon resonance assay | J Med Chem 59: 2083-93 (2016) BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human)) | BDBM50163868 (CHEMBL3798303 | carbonic anhydrase (CA) inhibitors...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA13 after 30 secs by surface plasmon resonance assay | J Med Chem 59: 2083-93 (2016) BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human)) | BDBM50163868 (CHEMBL3798303 | carbonic anhydrase (CA) inhibitors...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA13 by fluorescence-based thermal shift assay | J Med Chem 59: 2083-93 (2016) BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50163868 (CHEMBL3798303 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA12 catalytic domain by fluorescence-based thermal shift assay | J Med Chem 59: 2083-93 (2016) BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50163868 (CHEMBL3798303 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA1 expressed in Escherichia coli by fluorescence-based thermal shift assay | J Med Chem 59: 2083-93 (2016) BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50163868 (CHEMBL3798303 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | n/a | 0.00870 | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA2 expressed in Escherichia coli assessed as dissociation rate constant after 30 secs by surface plasmon reson... | J Med Chem 59: 2083-93 (2016) BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 7 (Homo sapiens (Human)) | BDBM50163868 (CHEMBL3798303 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA7 by fluorescence-based thermal shift assay | J Med Chem 59: 2083-93 (2016) BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50163868 (CHEMBL3798303 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA2 expressed in Escherichia coli after 30 secs by surface plasmon resonance assay | J Med Chem 59: 2083-93 (2016) BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50163868 (CHEMBL3798303 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA2 expressed in Escherichia coli by fluorescence-based thermal shift assay | J Med Chem 59: 2083-93 (2016) BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50163868 (CHEMBL3798303 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 0.00670 | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA9 catalytic domain by fluorescence-based thermal shift assay | J Med Chem 59: 2083-93 (2016) BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human)) | BDBM50163868 (CHEMBL3798303 | carbonic anhydrase (CA) inhibitors...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | n/a | n/a | 5.10E+5 | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA13 assessed as association rate constant after 30 secs by surface plasmon resonance assay | J Med Chem 59: 2083-93 (2016) BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair |