BDBM50523570 CHEMBL4436182
SMILES: [O-][N+](=O)c1cccc(\C=C2/CNCC3(C(C(Cc4c[nH]c5ccccc45)NC33C4N=c5ccccc5=NC4c4ccccc34)c3cccc(c3)[N+]([O-])=O)C2=O)c1
InChI Key: InChIKey=SBXYJYXTZRSKMK-VUTHCHCSSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cholinesterase (Equus caballus (Horse)) | BDBM50523570 (CHEMBL4436182) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University Curated by ChEMBL | Assay Description Inhibition of equine serum BChE using butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition and measured a... | Bioorg Med Chem 27: 2621-2628 (2019) Article DOI: 10.1016/j.bmc.2019.03.058 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50523570 (CHEMBL4436182) | UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University Curated by ChEMBL | Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured afte... | Bioorg Med Chem 27: 2621-2628 (2019) Article DOI: 10.1016/j.bmc.2019.03.058 | |||||||||||
More data for this Ligand-Target Pair |