BDBM50291664 CHEMBL4173239
SMILES: [Br-].COc1ccc2C(=O)C(Cc3cc[n+](Cc4cccc(C)c4)cc3Br)CCc2c1
InChI Key: InChIKey=URQLWKHIBWHRSU-UHFFFAOYSA-M
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 (Equus caballus (Horse)) | BDBM50291664 (CHEMBL4173239) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 665 | n/a | n/a | n/a | n/a | n/a | n/a |
VFP Therapies Curated by ChEMBL | Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured every mi... | Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50291664 (CHEMBL4173239) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
VFP Therapies Curated by ChEMBL | Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever... | Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR | |||||||||||
More data for this Ligand-Target Pair |