BDBM50049862 CHEMBL3322232
SMILES: Cl.Clc1ccc(cc1)-c1nc2ccc(cc2c2NCCCc12)C(=O)NCCCNc1c2CCCCc2nc2cc(Cl)ccc12
InChI Key: InChIKey=NOBALTDRZBHVTJ-UHFFFAOYSA-N
Data: 2 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)) | BDBM50049862 (CHEMBL3322232) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.00600 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona Curated by ChEMBL | Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric analysis | Eur J Med Chem 84: 107-17 (2014) Article DOI: 10.1016/j.ejmech.2014.07.021 BindingDB Entry DOI: 10.7270/Q2571DNF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM50049862 (CHEMBL3322232) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona Curated by ChEMBL | Assay Description Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate by spectrophotometric analysis | Eur J Med Chem 84: 107-17 (2014) Article DOI: 10.1016/j.ejmech.2014.07.021 BindingDB Entry DOI: 10.7270/Q2571DNF | |||||||||||
More data for this Ligand-Target Pair |