BDBM50355819 CHEMBL1912059
SMILES: Clc1ccc2c(NCCCNC(=O)CCCC[C@@H]3CCSS3)c3CCCCc3nc2c1
InChI Key: InChIKey=QVGXTQPZHCDXRZ-GOSISDBHSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cholinesterases (Homo sapiens (Human)) | BDBM50355819 (CHEMBL1912059) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 12.6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna Curated by ChEMBL | Assay Description Inhibition of human serum recombinant BChE after 20 mins using butyrylthiocholine iodide as a substrate by Ellman's assay | Eur J Med Chem 46: 5435-42 (2011) Article DOI: 10.1016/j.ejmech.2011.09.001 BindingDB Entry DOI: 10.7270/Q2ZS2WXV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50355819 (CHEMBL1912059) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna Curated by ChEMBL | Assay Description Inhibition of human serum recombinant AChE after 20 mins using acetylthiocholine iodide as a substrate by Ellman's assay | Eur J Med Chem 46: 5435-42 (2011) Article DOI: 10.1016/j.ejmech.2011.09.001 BindingDB Entry DOI: 10.7270/Q2ZS2WXV | |||||||||||
More data for this Ligand-Target Pair |