BDBM11687 (3aS,8aS)-1,3a,8-trimethyl-1-oxido-5-({[2-(propan-2-yl)phenyl]carbamoyl}oxy)-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-1-ium hydrochloride::Ganstigmine (CHF-2819) Analogue 4
SMILES: [H][C@@]12N(C)c3ccc(OC(=O)Nc4ccccc4C(C)C)cc3[C@]1(C)CC[N+]2(C)[O-]
InChI Key: InChIKey=QHRLNUUKYIOMLK-OYICLKKBSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...) | BDBM11687 ((3aS,8aS)-1,3a,8-trimethyl-1-oxido-5-({[2-(propan-...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.38E+3 | n/a | n/a | n/a | n/a | 8.0 | 22 |
Istituto di Cristallografia | Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ... | J Med Chem 49: 5051-8 (2006) Article DOI: 10.1021/jm060293s BindingDB Entry DOI: 10.7270/Q2DN439P | |||||||||||
More data for this Ligand-Target Pair |