BDBM50146830 CHEMBL3765726
SMILES: COc1ccc2[nH]c(cc2c1)-c1ccc(cc1)S(N)(=O)=O
InChI Key: InChIKey=NFQHLBXPDUBZHE-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 9 (Homo sapiens (Human)) | BDBM50146830 (CHEMBL3765726) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 156 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Reims Champagne-Ardenne Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay | J Med Chem 59: 721-32 (2016) BindingDB Entry DOI: 10.7270/Q2K0764T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50146830 (CHEMBL3765726) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 415 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Reims Champagne-Ardenne Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay | J Med Chem 59: 721-32 (2016) BindingDB Entry DOI: 10.7270/Q2K0764T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50146830 (CHEMBL3765726) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 764 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Reims Champagne-Ardenne Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay | J Med Chem 59: 721-32 (2016) BindingDB Entry DOI: 10.7270/Q2K0764T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50146830 (CHEMBL3765726) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 2.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Reims Champagne-Ardenne Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay | J Med Chem 59: 721-32 (2016) BindingDB Entry DOI: 10.7270/Q2K0764T | |||||||||||
More data for this Ligand-Target Pair |