null
SMILES: [H][C@]12C[C@@H](O)C=C[C@]11CCN(CCCCc3cn(CC(=O)NCCc4c[nH]c5ccc(OC)cc45)nn3)Cc3ccc(OC)c(O2)c13
InChI Key:
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)) | BDBM50577151 (CHEMBL4852686) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 554 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of human serum BuChe using butyrylthiocholine iodide as substrate incubated for 25 mins by DTNB reagent based Ellman's method | Citation and Details Article DOI: 10.1016/j.bmc.2021.116269 BindingDB Entry DOI: 10.7270/Q2377DJR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50577151 (CHEMBL4852686) | 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 | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate incubated for 25 mins by DTNB reagent based Ellman's method | Citation and Details Article DOI: 10.1016/j.bmc.2021.116269 BindingDB Entry DOI: 10.7270/Q2377DJR | |||||||||||
More data for this Ligand-Target Pair |