BDBM50087655 1,2-di{4-[4-(1-azepanyl)-1-pyridiniumylmethyl]phenyl}ethane dibromide::CHEMBL164952
SMILES: C(Cc1ccc(Cn2ccc(cc2)=[N+]2CCCCCC2)cc1)c1ccc(Cn2ccc(cc2)=[N+]2CCCCCC2)cc1
InChI Key: InChIKey=BODHLKVVDAHGHU-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Choline kinase alpha (Homo sapiens (Human)) | BDBM50087655 (1,2-di{4-[4-(1-azepanyl)-1-pyridiniumylmethyl]phen...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Granada Curated by ChEMBL | Assay Description Compound was tested ex vivo for inhibition against purified choline kinase obtained from yeast | Bioorg Med Chem Lett 10: 767-70 (2000) BindingDB Entry DOI: 10.7270/Q28C9VGX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Butyrylcholinesterase (BChE) (Equus caballus (Horse)) | BDBM50087655 (1,2-di{4-[4-(1-azepanyl)-1-pyridiniumylmethyl]phen...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 274 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Granada Curated by ChEMBL | Assay Description Inhibition of equine BChE after 20 mins using butyrylthiocholine iodide as a substrate by Ellman's assay | J Med Chem 54: 2627-45 (2011) Article DOI: 10.1021/jm101299d BindingDB Entry DOI: 10.7270/Q2SQ90QT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Bos taurus (bovine)) | BDBM50087655 (1,2-di{4-[4-(1-azepanyl)-1-pyridiniumylmethyl]phen...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Granada Curated by ChEMBL | Assay Description Inhibition of bovine AChE after 20 mins using acetylthiocholine iodide as a substrate by Ellman's assay | J Med Chem 54: 2627-45 (2011) Article DOI: 10.1021/jm101299d BindingDB Entry DOI: 10.7270/Q2SQ90QT | |||||||||||
More data for this Ligand-Target Pair |