BDBM50233374 9-[N-gamma-(3'-(nitrooxy)propyl)-gamma-aminobutylamino]-1,2,3,4-tetrahydroacridine::CHEMBL407320::N-(3-Nitrooxy-propyl)-N'-(1,2,3,4-tetrahydro-acridin-9-yl)-butane-1,4-diamine
SMILES: [O-][N+](=O)OCCCNCCCCNc1c2CCCCc2nc2ccccc12
InChI Key: InChIKey=NJRCJWGDCROWEJ-UHFFFAOYSA-N
Data: 4 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 (Electrophorus electricus (Electric eel)) | BDBM50233374 (9-[N-gamma-(3'-(nitrooxy)propyl)-gamma-aminobutyla...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Friedrich Schiller University Jena Curated by ChEMBL | Assay Description Inhibition of Electric eel AChE | J Med Chem 51: 7666-9 (2008) Article DOI: 10.1021/jm801131a BindingDB Entry DOI: 10.7270/Q2TT4QSV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50233374 (9-[N-gamma-(3'-(nitrooxy)propyl)-gamma-aminobutyla...) | 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 | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of AChE by Ellman's assay | J Med Chem 51: 713-6 (2008) Article DOI: 10.1021/jm701491k BindingDB Entry DOI: 10.7270/Q2XP75SX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM50233374 (9-[N-gamma-(3'-(nitrooxy)propyl)-gamma-aminobutyla...) | 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 | 9.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of BuChE by Ellman's assay | J Med Chem 51: 713-6 (2008) Article DOI: 10.1021/jm701491k BindingDB Entry DOI: 10.7270/Q2XP75SX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Butyrylcholinesterase (BChE) (Equus caballus (Horse)) | BDBM50233374 (9-[N-gamma-(3'-(nitrooxy)propyl)-gamma-aminobutyla...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Friedrich Schiller University Jena Curated by ChEMBL | Assay Description Inhibition of BuChE from equine serum | J Med Chem 51: 7666-9 (2008) Article DOI: 10.1021/jm801131a BindingDB Entry DOI: 10.7270/Q2TT4QSV | |||||||||||
More data for this Ligand-Target Pair |