BDBM50163858 CHEMBL2443188::carbonic anhydrase (CA) inhibitors, benzenesulphonamide ligand, 7
SMILES: NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1
InChI Key: InChIKey=ZQEDEEFNLDNUEW-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)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | n/a | n/a | n/a | 8.60E+5 | 7.0 | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA12 catalytic domain assessed as association rate constant at pH 7 by surface plasmon resonance assay | J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a |
Vilnius University Curated by ChEMBL | Assay Description Binding affinity to CA7 (unknown origin) assessed as dissociation rate constant at pH 7 by SPR assay | J Med Chem 61: 2292-2302 (2018) Article DOI: 10.1021/acs.jmedchem.7b01408 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | n/a | n/a | n/a | 1.80E+6 | 8.0 | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA12 catalytic domain assessed as association rate constant at pH 8 by surface plasmon resonance assay | J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | n/a | n/a | n/a | 3.10E+5 | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA1 expressed in Escherichia coli assessed as association rate constant after 30 secs by surface plasmon resona... | J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | n/a | n/a | n/a | 3.90E+5 | 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) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 7 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | n/a | n/a | n/a | 3.70E+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) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | n/a | n/a | n/a | 1.80E+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) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | n/a | n/a | n/a | 1.60E+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) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB UniProtKB/SwissProt GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | n/a | n/a | n/a | 7.20E+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) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | n/a | n/a | n/a | 4.40E+5 | 6.0 | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA9 catalytic domain assessed as association rate constant at pH 6 by surface plasmon resonance assay | J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | n/a | n/a | n/a | 3.60E+5 | 6.0 | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA12 catalytic domain assessed as association rate constant at pH 6 by surface plasmon resonance assay | J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | n/a | n/a | n/a | 1.80E+6 | 7.0 | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA9 catalytic domain assessed as association rate constant at pH 7 by surface plasmon resonance assay | J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | 100 | n/a | n/a | n/a | 8.0 | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation constant calculated from kinetic parameters at pH 8 by surface pl... | J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | 190 | n/a | n/a | n/a | 8.0 | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation constant calculated from saturation signal at pH 8 by surface pla... | J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | n/a | n/a | 0.320 | 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) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 200 | 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) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | PDB Article 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 CA12 catalytic domain by fluorescence-based thermal shift assay | J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 7 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | 12 | 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) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | n/a | n/a | 0.00840 | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA1 expressed in Escherichia coli assessed as dissociation rate constant after 30 secs by surface plasmon reson... | J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB UniProtKB/SwissProt GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | n/a | n/a | 0.00460 | 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) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB UniProtKB/SwissProt GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 6.40 | 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) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB UniProtKB/SwissProt GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 5.60 | 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) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | n/a | n/a | 0.430 | n/a | 6.0 | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation rate constant at pH 6 by surface plasmon resonance assay | J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | 6.0 | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation constant calculated from kinetic parameters at pH 6 by surface pl... | J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | 940 | n/a | n/a | n/a | 6.0 | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation constant calculated from saturation signal at pH 6 by surface pla... | J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | n/a | n/a | 0.310 | n/a | 6.0 | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation rate constant at pH 6 by surface plasmon resonance assay | J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 860 | n/a | n/a | n/a | 6.0 | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation constant calculated from kinetic parameters at pH 6 by surface p... | J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | 6.0 | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation constant calculated from saturation signal at pH 6 by surface pl... | J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | n/a | n/a | 0.180 | n/a | 7.0 | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation rate constant at pH 7 by surface plasmon resonance assay | J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 210 | n/a | n/a | n/a | 7.0 | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation constant calculated from kinetic parameters at pH 7 by surface p... | J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 270 | n/a | n/a | n/a | 7.0 | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation constant calculated from saturation signal at pH 7 by surface pl... | J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | n/a | n/a | 0.300 | n/a | 7.0 | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation rate constant at pH 7 by surface plasmon resonance assay | J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | 160 | n/a | n/a | n/a | 7.0 | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation constant calculated from kinetic parameters at pH 7 by surface pl... | J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | 260 | n/a | n/a | n/a | 7.0 | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation constant calculated from saturation signal at pH 7 by surface pla... | J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | n/a | n/a | 0.180 | n/a | 8.0 | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation rate constant at pH 8 by surface plasmon resonance assay | J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | 27 | 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 after 30 secs by surface plasmon resonance assay | J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | 3.30 | 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) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | n/a | n/a | 0.00420 | 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) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 7 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | 2 | 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) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | n/a | n/a | 0.260 | 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) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | 150 | 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) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | Article 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 CA2 expressed in Escherichia coli after 30 secs by surface plasmon resonance assay | J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | 3.30 | 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) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 7 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | n/a | n/a | 0.0440 | 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) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | 110 | 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) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | n/a | n/a | 0.200 | n/a | 8.0 | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation rate constant at pH 8 by surface plasmon resonance assay | J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 120 | n/a | n/a | n/a | 8.0 | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation constant calculated from kinetic parameters at pH 8 by surface p... | J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 19 | n/a | n/a | n/a | 8.0 | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation constant calculated from saturation signal at pH 8 by surface pl... | J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Carbonic anhydrases; II & IX (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a |
Vilnius University Curated by ChEMBL | Assay Description Binding affinity to human full length His-tagged CA2 (1 to 260 residues) expressed in Escherichia coli BL21(DE3) assessed as intrinsic thermodynamic ... | J Med Chem 61: 2292-2302 (2018) Article DOI: 10.1021/acs.jmedchem.7b01408 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrases; II & IX (Homo sapiens (Human)) | BDBM50163858![]() (CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a |
Vilnius University Curated by ChEMBL | Assay Description Binding affinity to human CA9 catalytic domain expressed in mammalian expression system assessed as dissociation rate constant at pH 7 by SPR assay | J Med Chem 61: 2292-2302 (2018) Article DOI: 10.1021/acs.jmedchem.7b01408 | |||||||||||
More data for this Ligand-Target Pair |
Displayed 1 to 50 (of 60 total ) | Next | Last >> |