BDBM50093588 CHEMBL3585776
SMILES: COc1ccc(cc1)C(C)NS(=O)(=O)NC(=O)OCc1ccccc1
InChI Key: InChIKey=GIRLQTWFPQINCE-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50093588 (CHEMBL3585776) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AgriIbrahim£e£en University Curated by ChEMBL | Assay Description Inhibition of esterase activity of carbonic anhydrase 2 in human erythrocytes using PNF as substrate by spectrophotometer analysis | Bioorg Med Chem 23: 3592-602 (2015) Article DOI: 10.1016/j.bmc.2015.04.019 BindingDB Entry DOI: 10.7270/Q2J104XP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50093588 (CHEMBL3585776) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 127 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AgriIbrahim£e£en University Curated by ChEMBL | Assay Description Inhibition of acetylcholinesterase (unknown origin) assessed as AChI hydrolysis using AChI and DTNB as substrate by Ellman's method | Bioorg Med Chem 23: 3592-602 (2015) Article DOI: 10.1016/j.bmc.2015.04.019 BindingDB Entry DOI: 10.7270/Q2J104XP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50093588 (CHEMBL3585776) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 156 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AgriIbrahim£e£en University Curated by ChEMBL | Assay Description Inhibition of acetylcholinesterase (unknown origin) assessed as AChI hydrolysis using AChI and DTNB as substrate by Ellman's method | Bioorg Med Chem 23: 3592-602 (2015) Article DOI: 10.1016/j.bmc.2015.04.019 BindingDB Entry DOI: 10.7270/Q2J104XP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50093588 (CHEMBL3585776) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
AgriIbrahim£e£en University Curated by ChEMBL | Assay Description Inhibition of esterase activity of carbonic anhydrase 2 in human erythrocytes using PNF as substrate by spectrophotometer analysis | Bioorg Med Chem 23: 3592-602 (2015) Article DOI: 10.1016/j.bmc.2015.04.019 BindingDB Entry DOI: 10.7270/Q2J104XP | |||||||||||
More data for this Ligand-Target Pair |