BDBM50023605 CHEMBL3355581
SMILES: COc1cc(CCC(=O)\C=C\c2ccc(CNc3c4C5CC(CC(C)=C5)Cc4nc4cc(Cl)ccc34)cc2)cc(CN(C)C)c1O
InChI Key: InChIKey=AXRSIKMWRLWTDO-FMIVXFBMSA-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)) | BDBM50023605 (CHEMBL3355581) | 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 | 21 | 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 preincubated for 20 mins before substrate addition by Ellman method | Bioorg Med Chem 22: 5298-307 (2014) Article DOI: 10.1016/j.bmc.2014.07.053 BindingDB Entry DOI: 10.7270/Q2M61MV9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM50023605 (CHEMBL3355581) | 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 | 181 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat de Barcelona Curated by ChEMBL | Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide preincubated for 20 mins before substrate addition by Ellman method | Bioorg Med Chem 22: 5298-307 (2014) Article DOI: 10.1016/j.bmc.2014.07.053 BindingDB Entry DOI: 10.7270/Q2M61MV9 | |||||||||||
More data for this Ligand-Target Pair |