BDBM50365773 CHEMBL1956552
SMILES: CCN(CC)CCCNc1ccc2C(=O)c3cccc4ccnc(-c2c1)c34
InChI Key: InChIKey=XNETYORDRXPMRM-UHFFFAOYSA-N
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 |
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Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50365773 (CHEMBL1956552) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry& Chemical Engineering of Guangxi Normal University Curated by ChEMBL | Assay Description Non-competitive inhibition of Electrophorus electricus AChE assessed as hydrolysis of acetylthiocholineiodide after 15 mins incubation by spectrophot... | Bioorg Med Chem Lett 22: 2257-61 (2012) Article DOI: 10.1016/j.bmcl.2012.01.090 BindingDB Entry DOI: 10.7270/Q2HH6KJX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50365773 (CHEMBL1956552) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry& Chemical Engineering of Guangxi Normal University Curated by ChEMBL | Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine chloride as substrate after 15 mins incubation by Ellman's method | Bioorg Med Chem Lett 22: 2257-61 (2012) Article DOI: 10.1016/j.bmcl.2012.01.090 BindingDB Entry DOI: 10.7270/Q2HH6KJX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Butyrylcholinesterase (BuChE) (Equus caballus (Horse)) | BDBM50365773 (CHEMBL1956552) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry& Chemical Engineering of Guangxi Normal University Curated by ChEMBL | Assay Description Inhibition of equine serum BChE after 15 mins incubation by spectrophotometry based Ellman's method | Bioorg Med Chem Lett 22: 2257-61 (2012) Article DOI: 10.1016/j.bmcl.2012.01.090 BindingDB Entry DOI: 10.7270/Q2HH6KJX | |||||||||||
More data for this Ligand-Target Pair |