BDBM50523337 CHEMBL4452286
SMILES: NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc2OCOc2c1
InChI Key: InChIKey=QZVFUKMYOBSKKZ-UHFFFAOYSA-N
Data: 4 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)) | BDBM50523337 (CHEMBL4452286) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Saint Petersburg State University Curated by ChEMBL | Assay Description Inhibition of human cytosolic CA 2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay | Eur J Med Chem 168: 301-314 (2019) Article DOI: 10.1016/j.ejmech.2019.02.044 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrases; II & IX (Homo sapiens (Human)) | BDBM50523337 (CHEMBL4452286) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Saint Petersburg State University Curated by ChEMBL | Assay Description Inhibition of membrane bound human CA 9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay | Eur J Med Chem 168: 301-314 (2019) Article DOI: 10.1016/j.ejmech.2019.02.044 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase (Homo sapiens (Human)) | BDBM50523337 (CHEMBL4452286) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Saint Petersburg State University Curated by ChEMBL | Assay Description Inhibition of membrane bound human CA 12 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay | Eur J Med Chem 168: 301-314 (2019) Article DOI: 10.1016/j.ejmech.2019.02.044 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase (Homo sapiens (Human)) | BDBM50523337 (CHEMBL4452286) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 99 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Saint Petersburg State University Curated by ChEMBL | Assay Description Inhibition of human cytosolic CA 1 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay | Eur J Med Chem 168: 301-314 (2019) Article DOI: 10.1016/j.ejmech.2019.02.044 | |||||||||||
More data for this Ligand-Target Pair |