BDBM50163863 4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide (2a)::CHEMBL3798446::carbonic anhydrase (CA) inhibitors, benzenesulphonamide ligand, 2
SMILES: NS(=O)(=O)c1ccc(cc1Cl)C(=O)Cn1cnc2ccccc12
InChI Key: InChIKey=SWJLGRBJIPSPCI-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 1 (Homo sapiens (Human)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | 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 | 3.30E+5 | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description The GSK3beta primary screen was conducted in assay ready 1536 plates (Aurora 29847) that contain 2.5 mL/well of 10 mM compound. Human GSK3beta as a G... | J Med Chem 59: 2083-93 (2016) BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Macaca mulatta) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a |
Vilnius University Curated by ChEMBL | Assay Description Binding affinity to CA1 (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 BindingDB Entry DOI: 10.7270/Q23T9KNS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 7 (Homo sapiens (Human)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | 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 | 9.80E+5 | 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 9 (Homo sapiens (Human)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | 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 | 3.10E+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 | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | 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 | 3.80E+5 | 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 13 (CA XIII) (Homo sapiens (Human)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | PDB UniProtKB/SwissProt 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 | 6.30E+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 | 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | 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 | Article PubMed | n/a | n/a | n/a | 12 | n/a | n/a | n/a | 7.0 | n/a |
Vilnius University | Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ... | J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | 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 | 8.30 | n/a | n/a | n/a | 7.0 | n/a |
Vilnius University | Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ... | J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 7 (Homo sapiens (Human)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | 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 | 4 | n/a | n/a | n/a | 7.0 | n/a |
Vilnius University | Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ... | J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | 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 | 833 | n/a | n/a | n/a | 7.0 | n/a |
Vilnius University | Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ... | J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | 19 | n/a | n/a | n/a | 7.0 | n/a |
Vilnius University | Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ... | J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 7 (Homo sapiens (Human)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | 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 | 17 | 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 12 (Homo sapiens (Human)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | 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 | 0.170 | 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)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | 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 | 450 | 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 12 (Homo sapiens (Human)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | 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 | 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) BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 7 (Homo sapiens (Human)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | 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 | 1.5 | 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 1 (Homo sapiens (Human)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | 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 | 0.00750 | 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) BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | 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 | 22 | 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) BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB 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 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 | 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB 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 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 | 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | n/a | 8 | 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 1 (Homo sapiens (Human)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | 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 | 5 | 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)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | 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 | n/a | n/a | 0.00460 | 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 9 (Homo sapiens (Human)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | 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 | 0.140 | 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 9 (Homo sapiens (Human)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | 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 | 47 | 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 2 (Homo sapiens (Human)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | 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 | 6 | 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)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | 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 | 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) BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 7 (Homo sapiens (Human)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | 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 | 0.0170 | 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)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | 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 | 20 | 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 (Homo sapiens (Human)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | 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 | 1.70 | n/a | n/a | n/a | n/a | n/a |
Vilnius University Curated by ChEMBL | Assay Description Binding affinity to CA12 (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 BindingDB Entry DOI: 10.7270/Q23T9KNS | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Carbonic anhydrases; II & IX (Homo sapiens (Human)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | 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 | Article PubMed | n/a | n/a | n/a | 6 | 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 intrinsic thermodynamic equilibrium constant at p... | J Med Chem 61: 2292-2302 (2018) Article DOI: 10.1021/acs.jmedchem.7b01408 BindingDB Entry DOI: 10.7270/Q23T9KNS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | 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 | 4.60 | 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 dissociation rate consta... | J Med Chem 61: 2292-2302 (2018) Article DOI: 10.1021/acs.jmedchem.7b01408 BindingDB Entry DOI: 10.7270/Q23T9KNS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase (Homo sapiens (Human)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | 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 | 3.30 | 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 intrinsic thermodynamic equilibrium constant at pH 7 by SPR assay | J Med Chem 61: 2292-2302 (2018) Article DOI: 10.1021/acs.jmedchem.7b01408 BindingDB Entry DOI: 10.7270/Q23T9KNS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Equus caballus) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a |
Vilnius University Curated by ChEMBL | Assay Description Binding affinity to CA1 (unknown origin) assessed as intrinsic thermodynamic equilibrium constant at pH 7 by SPR assay | J Med Chem 61: 2292-2302 (2018) Article DOI: 10.1021/acs.jmedchem.7b01408 BindingDB Entry DOI: 10.7270/Q23T9KNS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase (Homo sapiens (Human)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | 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 | 8.40 | n/a | n/a | n/a | n/a | n/a |
Vilnius University Curated by ChEMBL | Assay Description Binding affinity to CA12 (unknown origin) assessed as intrinsic thermodynamic equilibrium constant at pH 7 by SPR assay | J Med Chem 61: 2292-2302 (2018) Article DOI: 10.1021/acs.jmedchem.7b01408 BindingDB Entry DOI: 10.7270/Q23T9KNS | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | 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 | 1.30 | 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 BindingDB Entry DOI: 10.7270/Q23T9KNS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrases; II & IX (Homo sapiens (Human)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | 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 | Article PubMed | n/a | n/a | n/a | 1.40 | 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 BindingDB Entry DOI: 10.7270/Q23T9KNS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a |
Vilnius University Curated by ChEMBL | Assay Description Binding affinity to human N-terminal full length His-tagged CA13 (1 to 262 residues) expressed in Escherichia coli BL21(DE3) assessed as intrinsic th... | J Med Chem 61: 2292-2302 (2018) Article DOI: 10.1021/acs.jmedchem.7b01408 BindingDB Entry DOI: 10.7270/Q23T9KNS | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase (Homo sapiens (Human)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | 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 | 1.70 | 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 BindingDB Entry DOI: 10.7270/Q23T9KNS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a |
Vilnius University Curated by ChEMBL | Assay Description Binding affinity towards Dopamine transporter by displacement of [3H]WIN-35428 radioligand from rat brain | J Med Chem 61: 2292-2302 (2018) Article DOI: 10.1021/acs.jmedchem.7b01408 BindingDB Entry DOI: 10.7270/Q23T9KNS | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) | 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 | n/a | n/a | n/a | 7.70E+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) BindingDB Entry DOI: 10.7270/Q2571DWK | |||||||||||
More data for this Ligand-Target Pair |