BDBM13539 3,4,5-Trimethoxy-N-(4-oxo-4-(2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazino)butyl)-benzamide::3,4,5-trimethoxy-N-[3-(N'-1,2,3,4-tetrahydroacridin-9-ylhydrazinecarbonyl)propyl]benzamide::tacrine derivative 15d
SMILES: COc1cc(cc(OC)c1OC)C(=O)NCCCC(=O)NNc1c2CCCCc2nc2ccccc12
InChI Key: InChIKey=JJFPAWUNOIIHJP-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 (Homo sapiens (Human)) | BDBM13539![]() (3,4,5-Trimethoxy-N-(4-oxo-4-(2-(1,2,3,4-tetrahydro...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 241 | n/a | n/a | n/a | n/a | 7.3 | 25 |
Rheinische Friedrich-Wilhelms-Universitat Bonn | Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr... | J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM13539![]() (3,4,5-Trimethoxy-N-(4-oxo-4-(2-(1,2,3,4-tetrahydro...) | UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 60.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universitat Bonn | Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr... | J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...) | BDBM13539![]() (3,4,5-Trimethoxy-N-(4-oxo-4-(2-(1,2,3,4-tetrahydro...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 26.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universitat Bonn | Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr... | J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM13539![]() (3,4,5-Trimethoxy-N-(4-oxo-4-(2-(1,2,3,4-tetrahydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.13 | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universitat Bonn | Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr... | J Med Chem 49: 7540-4 (2006) Article DOI: 10.1021/jm060742o BindingDB Entry DOI: 10.7270/Q21Z42NF | |||||||||||
More data for this Ligand-Target Pair |