null
SMILES: COc1ccc(Cn2cc(C(=O)NCCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)c3ccccc23)cc1
InChI Key: InChIKey=JXQZTEXAQLHFFG-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50458450 (CHEMBL4206484) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 194 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Defence Curated by ChEMBL | Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured at 2... | Eur J Med Chem 150: 292-306 (2018) Article DOI: 10.1016/j.ejmech.2018.02.083 BindingDB Entry DOI: 10.7270/Q2W95CT0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human)) | BDBM50458450 (CHEMBL4206484) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Defence Curated by ChEMBL | Assay Description Antagonist activity at human M1 mAChR expressed in CHO cells assessed as inhibition of oxotremorine M-stimulated calcium influx preincubated for 10 m... | Eur J Med Chem 150: 292-306 (2018) Article DOI: 10.1016/j.ejmech.2018.02.083 BindingDB Entry DOI: 10.7270/Q2W95CT0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterase (Homo sapiens (Human)) | BDBM50458450 (CHEMBL4206484) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Defence Curated by ChEMBL | Assay Description Inhibition of human plasmatic BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured at 2... | Eur J Med Chem 150: 292-306 (2018) Article DOI: 10.1016/j.ejmech.2018.02.083 BindingDB Entry DOI: 10.7270/Q2W95CT0 | |||||||||||
More data for this Ligand-Target Pair |