BDBM8972 N-(1,2,3,4-Tetrahydroacridin-9-yl)-9-[(1,2,3,4-tetrahydro-9-yl)thio]nonan-1-amine::N-[9-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)nonyl]-1,2,3,4-tetrahydroacridin-9-amine::Tacrine Dimer 4h
SMILES: C(CCCCNc1c2CCCCc2nc2ccccc12)CCCCSc1c2CCCCc2nc2ccccc12
InChI Key: InChIKey=RTNOULQZDCKIIT-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Butyrylcholinesterase (BChE) (Equus caballus (Horse)) | BDBM8972 (N-(1,2,3,4-Tetrahydroacridin-9-yl)-9-[(1,2,3,4-tet...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita di Siena | Assay Description Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ... | J Med Chem 48: 1919-29 (2005) Article DOI: 10.1021/jm049510k BindingDB Entry DOI: 10.7270/Q27P8WMJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM8972 (N-(1,2,3,4-Tetrahydroacridin-9-yl)-9-[(1,2,3,4-tet...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 195 | -9.15 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
Universita di Siena | Assay Description Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ... | J Med Chem 48: 1919-29 (2005) Article DOI: 10.1021/jm049510k BindingDB Entry DOI: 10.7270/Q27P8WMJ | |||||||||||
More data for this Ligand-Target Pair |