BDBM29392 tacrine-dihydropyridine hybrid (tacripyrine), 3
SMILES: CCOC(=O)C1C(c2ccccc2C(F)(F)F)c2c(N)c3CCCCc3nc2N=C1C
InChI Key: InChIKey=JDGLNHITSICCJM-UHFFFAOYSA-N
Data: 3 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)) | BDBM29392 (tacrine-dihydropyridine hybrid (tacripyrine), 3) | 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 | 226 | n/a | n/a | n/a | n/a | 7.2 | 22 |
CSIC | Assay Description The inhibitory activity of the compounds towards hAChE was determined following the method of Ellman using AChE from human serum and acetylthiocholin... | J Med Chem 52: 2724-32 (2009) Article DOI: 10.1021/jm801292b BindingDB Entry DOI: 10.7270/Q2C827NZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM29392 (tacrine-dihydropyridine hybrid (tacripyrine), 3) | UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIC | Assay Description The inhibitory activity of the compounds towards AChE was determined following the spectrophotometric method of Rappaport using purified AChE from Ee... | J Med Chem 52: 2724-32 (2009) Article DOI: 10.1021/jm801292b BindingDB Entry DOI: 10.7270/Q2C827NZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM29392 (tacrine-dihydropyridine hybrid (tacripyrine), 3) | 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 | >1.00E+5 | n/a | n/a | n/a | n/a | 7.2 | 22 |
CSIC | Assay Description The inhibitory activity of the compounds towards BuChE was determined following the method of Ellman using BuChE from human serum and butyrylthiochol... | J Med Chem 52: 2724-32 (2009) Article DOI: 10.1021/jm801292b BindingDB Entry DOI: 10.7270/Q2C827NZ | |||||||||||
More data for this Ligand-Target Pair |