BDBM50028682 CHEMBL3356533
SMILES: Clc1ccc2c(NCCCNC3=CC(=O)c4ccccc4C3=O)c3CCCCc3nc2c1
InChI Key: InChIKey=IKGNUTZEJZTSQS-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cholinesterase (Homo sapiens (Human)) | BDBM50028682 (CHEMBL3356533) | 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 | 197 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna Curated by ChEMBL | Assay Description Inhibition of human plasmatic BChE after 5 mins by Ellman method | J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50028682 (CHEMBL3356533) | 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 | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna Curated by ChEMBL | Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman method | J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD | |||||||||||
More data for this Ligand-Target Pair |