BDBM50429922 CHEMBL2333418::carbonic anhydrase (CA) inhibitors, benzenesulphonamide ligand, 11
SMILES: CCCSc1c(F)c(F)c(c(F)c1F)S(N)(=O)=O
InChI Key: InChIKey=LKPIFWBRFVJTMY-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)) | BDBM50429922 (CHEMBL2333418 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | n/a | n/a | n/a | n/a | 5.20E+6 | 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 2 (Homo sapiens (Human)) | BDBM50429922 (CHEMBL2333418 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 2 | n/a | n/a | n/a | 7.0 | n/a |
Vilnius University Institute of Biotechnology Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA2 at 37 degC and pH 7.0 by thermal shift assay | Bioorg Med Chem 21: 2093-106 (2013) Article DOI: 10.1016/j.bmc.2013.01.008 BindingDB Entry DOI: 10.7270/Q2PV6MQK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50429922 (CHEMBL2333418 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | n/a | n/a | n/a | n/a | 1.30E+6 | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA12 catalytic domain 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 | 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50429922 (CHEMBL2333418 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | n/a | n/a | n/a | 0.0250 | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA12 catalytic domain 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 | 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50429922 (CHEMBL2333418 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | n/a | 19 | 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 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 | 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 7 (Homo sapiens (Human)) | BDBM50429922 (CHEMBL2333418 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | n/a | 6.5 | 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)) | BDBM50429922 (CHEMBL2333418 | carbonic anhydrase (CA) inhibitors...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | n/a | 0.530 | 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 | 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50429922 (CHEMBL2333418 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | n/a | 14 | 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 | 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50429922 (CHEMBL2333418 | 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 PDB UniChem Similars | PDB PubMed | n/a | n/a | n/a | 0.0330 | 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 | 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 7 (Homo sapiens (Human)) | BDBM50429922 (CHEMBL2333418 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | n/a | 0.330 | 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 9 (Homo sapiens (Human)) | BDBM50429922 (CHEMBL2333418 | 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 PDB UniChem Similars | PubMed | n/a | n/a | n/a | n/a | n/a | 0.110 | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA9 catalytic domain 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)) | BDBM50429922 (CHEMBL2333418 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | n/a | 0.910 | 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 7 (Homo sapiens (Human)) | BDBM50429922 (CHEMBL2333418 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | n/a | n/a | n/a | 0.0330 | 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 9 (Homo sapiens (Human)) | BDBM50429922 (CHEMBL2333418 | 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 PDB UniChem Similars | PubMed | n/a | n/a | n/a | 11 | 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 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 9 (Homo sapiens (Human)) | BDBM50429922 (CHEMBL2333418 | 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 PDB UniChem Similars | PubMed | n/a | n/a | n/a | 1.70 | 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)) | BDBM50429922 (CHEMBL2333418 | carbonic anhydrase (CA) inhibitors...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | 7.0 | n/a |
Vilnius University Institute of Biotechnology Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA13 at 37 degC and pH 7.0 by thermal shift assay | Bioorg Med Chem 21: 2093-106 (2013) Article DOI: 10.1016/j.bmc.2013.01.008 BindingDB Entry DOI: 10.7270/Q2PV6MQK | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50429922 (CHEMBL2333418 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | 40 | n/a | n/a | n/a | 7.0 | n/a |
Vilnius University Institute of Biotechnology Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA12 at 37 degC and pH 7.0 by thermal shift assay | Bioorg Med Chem 21: 2093-106 (2013) Article DOI: 10.1016/j.bmc.2013.01.008 BindingDB Entry DOI: 10.7270/Q2PV6MQK | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 7 (Homo sapiens (Human)) | BDBM50429922 (CHEMBL2333418 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | 7.0 | n/a |
Vilnius University Institute of Biotechnology Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA7 at 37 degC and pH 7.0 by thermal shift assay | Bioorg Med Chem 21: 2093-106 (2013) Article DOI: 10.1016/j.bmc.2013.01.008 BindingDB Entry DOI: 10.7270/Q2PV6MQK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50429922 (CHEMBL2333418 | 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 PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | 0.0330 | n/a | n/a | n/a | 7.0 | n/a |
Vilnius University Institute of Biotechnology Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA1 at 37 degC and pH 7.0 by thermal shift assay | Bioorg Med Chem 21: 2093-106 (2013) Article DOI: 10.1016/j.bmc.2013.01.008 BindingDB Entry DOI: 10.7270/Q2PV6MQK | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50429922 (CHEMBL2333418 | 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 PDB UniChem Similars | PubMed | n/a | n/a | n/a | n/a | n/a | n/a | 9.20E+6 | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA9 catalytic domain 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 |