BDBM50231961 3,8-diamino-5-(3-{3-[3-(2-methoxy-benzylamino)-propylamino]-propylamino}-propyl)-6-phenyl-phenanthridinium::CHEMBL257540
SMILES: COc1ccccc1CNCCCNCCCNCCCn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12
InChI Key: InChIKey=NLCQQMLZYJKGLV-UHFFFAOYSA-O
Data: 1 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)) | BDBM50231961 (3,8-diamino-5-(3-{3-[3-(2-methoxy-benzylamino)-pro...) | 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 | 952 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna Curated by ChEMBL | Assay Description Inhibition of human AchE | J Med Chem 51: 347-72 (2008) Article DOI: 10.1021/jm7009364 BindingDB Entry DOI: 10.7270/Q25B039W | |||||||||||
More data for this Ligand-Target Pair |