BDBM50019010 CHEMBL3288082
SMILES: [Na+].[Na+].[H][C@]12[C@@H](CC[C@]1(C)[C@H](C[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](OS([O-])(=O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)OS([O-])(=O)=O)C(C)C
InChI Key: InChIKey=XVDRHYGNDFAGFN-CTNMRGLWSA-L
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 (Tetronarce californica (Pacific electric ray) (Tor...) | BDBM50019010 (CHEMBL3288082) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.44E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional del Sur Curated by ChEMBL | Assay Description Uncompetitive inhibition of Pacific electric ray AChE using acetylthiocholine as substrate by Lineweaver-Burk plot analysis | Bioorg Med Chem 22: 3341-50 (2014) Article DOI: 10.1016/j.bmc.2014.04.050 BindingDB Entry DOI: 10.7270/Q28P6220 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...) | BDBM50019010 (CHEMBL3288082) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.88E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional del Sur Curated by ChEMBL | Assay Description Inhibition of Pacific electric ray AChE using acetylthiocholine iodide as substrate after 60 mins by Ellman's method | Bioorg Med Chem 22: 3341-50 (2014) Article DOI: 10.1016/j.bmc.2014.04.050 BindingDB Entry DOI: 10.7270/Q28P6220 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Butyrylcholinesterase (BuChE) (Equus caballus (Horse)) | BDBM50019010 (CHEMBL3288082) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.04E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional del Sur Curated by ChEMBL | Assay Description Inhibition of BChE in horse serum using butyrylthiocholine iodide as substrate after 120 mins by Ellman's method | Bioorg Med Chem 22: 3341-50 (2014) Article DOI: 10.1016/j.bmc.2014.04.050 BindingDB Entry DOI: 10.7270/Q28P6220 | |||||||||||
More data for this Ligand-Target Pair |