null
SMILES: [Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1ccc(cc1)C(F)(F)F
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50555835 (CHEMBL4752175) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.456 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Noncompetitive inhibition of human acetylcholinesterase assessed as affinity towards free enzyme using acetylthiocholine iodide as substrate measured... | Citation and Details Article DOI: 10.1016/j.ejmech.2020.112593 BindingDB Entry DOI: 10.7270/Q2HH6PQD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterase (Homo sapiens (Human)) | BDBM50555835 (CHEMBL4752175) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 9.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of human butyrylcholinesterase in plasma using butyrylthiocholineiodide as substrate preincubated with enzyme for 5 mins followed by subst... | Citation and Details Article DOI: 10.1016/j.ejmech.2020.112593 BindingDB Entry DOI: 10.7270/Q2HH6PQD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prolyl endopeptidase (Homo sapiens (Human)) | BDBM50555835 (CHEMBL4752175) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.74E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of recombinant human Prolyl oligopeptidase expressed in Escherichia coli expression system using (Z)-Gly-Pro-p-nitroanilide as substrate p... | Citation and Details Article DOI: 10.1016/j.ejmech.2020.112593 BindingDB Entry DOI: 10.7270/Q2HH6PQD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50555835 (CHEMBL4752175) | 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 | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of recombinant human acetylcholinesterase using acetylthiocholine iodide as substrate preincubated with enzyme for 5 mins followed by subs... | Citation and Details Article DOI: 10.1016/j.ejmech.2020.112593 BindingDB Entry DOI: 10.7270/Q2HH6PQD | |||||||||||
More data for this Ligand-Target Pair |