BDBM50218516 6,7-dimethoxy-3-(4-{[(2-methylbenzyl)methylamino]methyl}phenyl)chromen-2-one::CHEMBL243130
SMILES: COc1cc2cc(-c3ccc(CN(C)Cc4ccccc4C)cc3)c(=O)oc2cc1OC
InChI Key: InChIKey=XZUBXCWVPOEDDO-UHFFFAOYSA-N
Data: 2 IC50
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)) | BDBM50218516 (6,7-dimethoxy-3-(4-{[(2-methylbenzyl)methylamino]m...) | 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 | 366 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna Curated by ChEMBL | Assay Description Inhibition of human recombinant AChE | J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterase (Homo sapiens (Human)) | BDBM50218516 (6,7-dimethoxy-3-(4-{[(2-methylbenzyl)methylamino]m...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna Curated by ChEMBL | Assay Description Inhibition of human recombinant BChE | J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V | |||||||||||
More data for this Ligand-Target Pair |