BDBM10595 (9E)-7-(7-(1,2,3,4-Tetrahydroacridin-9-ylamino)heptylamino)-9-ethylidene-3-methylbicyclo[3.3.1]non-3-ene-1-carboxylic Acid Methyl Ester::Huperzine A-Tacrine Hybrid 5c::methyl (1S)-9-ethylidene-3-methyl-7-{[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]amino}bicyclo[3.3.1]non-3-ene-1-carboxylate
SMILES: COC(=O)C12CC(CC(C=C(C)C1)C2=CC)NCCCCCCCNc1c2CCCCc2nc2ccccc12
InChI Key: InChIKey=GXLCMIZDIFTAHJ-AIFPUMKXSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Acetylcholinesterase (Homo sapiens (Human)) | BDBM10595 ((9E)-7-(7-(1,2,3,4-Tetrahydroacridin-9-ylamino)hep...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 6.40 | -11.2 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
Universita di Siena | Assay Description The cholinesterase assays were performed using colorimetric method reported by E llman. Inhibition of enzyme activity was measured over a substrate c... | J Med Chem 49: 3421-5 (2006) Article DOI: 10.1021/jm060257t BindingDB Entry DOI: 10.7270/Q2WW7FWB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM10595 ((9E)-7-(7-(1,2,3,4-Tetrahydroacridin-9-ylamino)hep...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 19.5 | -10.5 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
Universita di Siena | Assay Description The cholinesterase assays were performed using colorimetric method reported by E llman. Inhibition of enzyme activity was measured over a substrate c... | J Med Chem 49: 3421-5 (2006) Article DOI: 10.1021/jm060257t BindingDB Entry DOI: 10.7270/Q2WW7FWB | |||||||||||
More data for this Ligand-Target Pair |