BDBM50227244 CHEMBL4096322
SMILES: NS(=O)(=O)c1ccc(CCNc2n[n+]([O-])c3ccccc3[n+]2[O-])cc1
InChI Key: InChIKey=LKHXKCULVJOEHH-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)) | BDBM50227244 (CHEMBL4096322) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Maastricht University Medical Centre Curated by ChEMBL | Assay Description Binding affinity to recombinant human carbonic anhydrase 2 after 15 mins by stopped-flow CO2 hydration assay | Eur J Med Chem 127: 691-702 (2017) BindingDB Entry DOI: 10.7270/Q2MK6G3G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrases; II & IX (Homo sapiens (Human)) | BDBM50227244 (CHEMBL4096322) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 383 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Maastricht University Medical Centre Curated by ChEMBL | Assay Description Binding affinity to recombinant human carbonic anhydrase 9 after 15 mins by stopped-flow CO2 hydration assay | Eur J Med Chem 127: 691-702 (2017) BindingDB Entry DOI: 10.7270/Q2MK6G3G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50227244 (CHEMBL4096322) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 567 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Maastricht University Medical Centre Curated by ChEMBL | Assay Description Binding affinity to recombinant human carbonic anhydrase 1 after 15 mins by stopped-flow CO2 hydration assay | Eur J Med Chem 127: 691-702 (2017) BindingDB Entry DOI: 10.7270/Q2MK6G3G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase (Homo sapiens (Human)) | BDBM50227244 (CHEMBL4096322) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 1.46E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Maastricht University Medical Centre Curated by ChEMBL | Assay Description Binding affinity to recombinant human carbonic anhydrase 12 after 15 mins by stopped-flow CO2 hydration assay | Eur J Med Chem 127: 691-702 (2017) BindingDB Entry DOI: 10.7270/Q2MK6G3G | |||||||||||
More data for this Ligand-Target Pair |