BDBM50234789 CHEMBL4063629
SMILES: [H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1)C(C)=O
InChI Key: InChIKey=TZPWJFBZFIGPET-KYIMJNNYSA-N
Data: 3 KI
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 (Electrophorus electricus (Electric eel)) | BDBM50234789 (CHEMBL4063629) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther University Halle-Wittenberg Curated by ChEMBL | Assay Description Competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measu... | Eur J Med Chem 126: 652-668 (2017) BindingDB Entry DOI: 10.7270/Q2X0698K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50234789 (CHEMBL4063629) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 4.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther University Halle-Wittenberg Curated by ChEMBL | Assay Description Uncompetitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition mea... | Eur J Med Chem 126: 652-668 (2017) BindingDB Entry DOI: 10.7270/Q2X0698K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterase (Equus caballus (Horse)) | BDBM50234789 (CHEMBL4063629) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther University Halle-Wittenberg Curated by ChEMBL | Assay Description Competitive inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition meas... | Eur J Med Chem 126: 652-668 (2017) BindingDB Entry DOI: 10.7270/Q2X0698K | |||||||||||
More data for this Ligand-Target Pair |