BDBM10406 (1S,12S,14R)-4-[8-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)octyl]-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.0^{1,12}.0^{6,17}]heptadeca-4,6,8,10(17),15-pentaen-4-ium::Galanthamine derivative 3::galanthamine deriv. 4d
SMILES: COc1ccc2C=[N+](CCCCCCCCN3C(=O)c4ccccc4C3=O)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24
InChI Key: InChIKey=VLGAHTYYCHWLNI-BHRZLAGCSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...) | BDBM10406 ((1S,12S,14R)-4-[8-(1,3-dioxo-2,3-dihydro-1H-isoind...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | 8.0 | 22 |
Weizmann Institute of Science | Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ... | J Am Chem Soc 126: 15405-11 (2004) Article DOI: 10.1021/ja0466154 BindingDB Entry DOI: 10.7270/Q2FX77N1 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...) | BDBM10406 ((1S,12S,14R)-4-[8-(1,3-dioxo-2,3-dihydro-1H-isoind...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Siena Curated by ChEMBL | Assay Description Inhibition of Torpedo californica AChE | J Med Chem 51: 3154-70 (2008) Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...) | BDBM10406 ((1S,12S,14R)-4-[8-(1,3-dioxo-2,3-dihydro-1H-isoind...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | 8.0 | 22 |
CNRS | Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ... | Bioorg Med Chem 6: 1835-50 (1998) Article DOI: 10.1016/s0968-0896(98)00133-3 BindingDB Entry DOI: 10.7270/Q2B56GZ2 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM10406 ((1S,12S,14R)-4-[8-(1,3-dioxo-2,3-dihydro-1H-isoind...) | UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 11 | n/a | n/a | n/a | n/a | 8.0 | 22 |
Weizmann Institute of Science | Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ... | J Am Chem Soc 126: 15405-11 (2004) Article DOI: 10.1021/ja0466154 BindingDB Entry DOI: 10.7270/Q2FX77N1 | |||||||||||
More data for this Ligand-Target Pair |