BDBM8959 (2-Mercaptoethyl)trimethylammonium iodide acetate::ATC::Acetylthiocholine::[2-(acetylsulfanyl)ethyl]trimethylazanium iodide::acetylthiocholine chloride::acetylthiocholine iodide

SMILES: CC(=O)SCC[N+](C)(C)C

InChI Key: InChIKey=GFFIJCYHQYHUHB-UHFFFAOYSA-N

Data: 1 KI

PDB links: 5 PDB IDs match this monomer. 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 8959   

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
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM8959 ((2-Mercaptoethyl)trimethylammonium iodide acetate ...) Show SMILES CC(=O)SCC[N+](C)(C)C Show InChI InChI=1S/C7H16NOS/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Barrow Neurological Institute Curated by PDSP Ki Database									Mol Pharmacol 64: 1283-94 (2003) Article DOI: 10.1124/mol.64.6.1283 BindingDB Entry DOI: 10.7270/Q2GF0S2V
					More data for this Ligand-Target Pair