Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50163864 (3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | n/a | n/a | 1.80E+4 | 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) 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)) | BDBM50163864 (3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 4.35E+3 | 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 1 (Homo sapiens (Human)) | BDBM50163864 (3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article 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 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 1 (Macaca mulatta) | BDBM50163864 (3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | n/a | 0.790 | 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 1 (Homo sapiens (Human)) | BDBM50163864 (3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 1.70E+3 | 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 1 (Equus caballus) | BDBM50163864 (3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 200 | 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 1 (Homo sapiens (Human)) | BDBM50163864 (3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 4.40E+4 | 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 |