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| 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)) | BDBM50429899 (CHEMBL2333416) | 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 | 0.110 | n/a | n/a | n/a | n/a | n/a |
Vilnius University Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 1 at pH7 and 37 degC by fluorescent thermal shift assay | J Med Chem 57: 9435-46 (2014) Article DOI: 10.1021/jm501003k BindingDB Entry DOI: 10.7270/Q280547S | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50429899 (CHEMBL2333416) | 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 | <10 | n/a | n/a | n/a | n/a | n/a |
Vilnius University Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 1 at pH7 and 37 degC by isothermal titration calorimetry | J Med Chem 57: 9435-46 (2014) Article DOI: 10.1021/jm501003k BindingDB Entry DOI: 10.7270/Q280547S | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Carbonic anhydrase 1 (Equus caballus) | BDBM50429899 (CHEMBL2333416) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 0.00320 | 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)) | BDBM50429899 (CHEMBL2333416) | 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 | 0.110 | 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 | |||||||||||||
| Carbonic anhydrase 1 (Macaca mulatta) | BDBM50429899 (CHEMBL2333416) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | n/a | 0.0000270 | 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)) | BDBM50429899 (CHEMBL2333416) | 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 | <50 | n/a | n/a | n/a | n/a | n/a |
Vilnius University Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 1 at pH7 and 25 degC by stopped-flow kinetic inhibition assay | J Med Chem 57: 9435-46 (2014) Article DOI: 10.1021/jm501003k BindingDB Entry DOI: 10.7270/Q280547S | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
