null
SMILES: COC(=O)c1cn(nc1-c1ccc(cc1)[N+]([O-])=O)-c1ccc(cc1)S(N)(=O)=O
InChI Key: InChIKey=LZEXOJUALAKFGW-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 12 (Homo sapiens (Human)) | BDBM50496538 (CHEMBL3126820) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay | Eur J Med Chem 76: 284-90 (2014) Article DOI: 10.1016/j.ejmech.2014.02.023 BindingDB Entry DOI: 10.7270/Q2833W01 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50496538 (CHEMBL3126820) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 9-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay | Eur J Med Chem 76: 284-90 (2014) Article DOI: 10.1016/j.ejmech.2014.02.023 BindingDB Entry DOI: 10.7270/Q2833W01 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50496538 (CHEMBL3126820) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 1-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay | Eur J Med Chem 76: 284-90 (2014) Article DOI: 10.1016/j.ejmech.2014.02.023 BindingDB Entry DOI: 10.7270/Q2833W01 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50496538 (CHEMBL3126820) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 681 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 2-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay | Eur J Med Chem 76: 284-90 (2014) Article DOI: 10.1016/j.ejmech.2014.02.023 BindingDB Entry DOI: 10.7270/Q2833W01 | |||||||||||
More data for this Ligand-Target Pair |