BDBM50528166 CHEMBL4519039
SMILES: NS(=O)(=O)c1ccc(O[P@@](=O)(OCC#C)c2ccccc2)cc1
InChI Key: InChIKey=QPPDZAQVRNMGGM-QFIPXVFZSA-N
Data: 8 KI
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 2 (Homo sapiens (Human)) | BDBM50528166 (CHEMBL4519039) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydratio... | J Med Chem 63: 5185-5200 (2020) Article DOI: 10.1021/acs.jmedchem.9b02135 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase (Homo sapiens (Human)) | BDBM50528166 (CHEMBL4519039) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 7 preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydratio... | J Med Chem 63: 5185-5200 (2020) Article DOI: 10.1021/acs.jmedchem.9b02135 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrases; II & IX (Homo sapiens (Human)) | BDBM50528166 (CHEMBL4519039) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydratio... | J Med Chem 63: 5185-5200 (2020) Article DOI: 10.1021/acs.jmedchem.9b02135 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase (Homo sapiens (Human)) | BDBM50528166 (CHEMBL4519039) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydrati... | J Med Chem 63: 5185-5200 (2020) Article DOI: 10.1021/acs.jmedchem.9b02135 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase V (Homo sapiens (Human)) | BDBM50528166 (CHEMBL4519039) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 5B preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydrati... | J Med Chem 63: 5185-5200 (2020) Article DOI: 10.1021/acs.jmedchem.9b02135 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase V (Homo sapiens (Human)) | BDBM50528166 (CHEMBL4519039) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 108 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 5A preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydrati... | J Med Chem 63: 5185-5200 (2020) Article DOI: 10.1021/acs.jmedchem.9b02135 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase (Homo sapiens (Human)) | BDBM50528166 (CHEMBL4519039) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 564 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydratio... | J Med Chem 63: 5185-5200 (2020) Article DOI: 10.1021/acs.jmedchem.9b02135 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase (Homo sapiens (Human)) | BDBM50528166 (CHEMBL4519039) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 747 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 4 preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydratio... | J Med Chem 63: 5185-5200 (2020) Article DOI: 10.1021/acs.jmedchem.9b02135 | |||||||||||
More data for this Ligand-Target Pair |