BDBM50449478 CHEMBL4171947

SMILES: [I-].CC(C)NC(=O)c1c[n+](C)c2cccc(OC(=O)N(C)C)c2c1

InChI Key: InChIKey=GYRQDJJXSXVSSO-UHFFFAOYSA-O

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50449478   

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 (Homo sapiens (Human))	BDBM50449478 (CHEMBL4171947) Show SMILES [I-].CC(C)NC(=O)c1c[n+](C)c2cccc(OC(=O)N(C)C)c2c1 Show InChI InChI=1S/C17H21N3O3/c1-11(2)18-16(21)12-9-13-14(20(5)10-12)7-6-8-15(13)23-17(22)19(3)4/h6-11H,1-5H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured eve...				Eur J Med Chem 155: 171-182 (2018) Article DOI: 10.1016/j.ejmech.2018.05.057 BindingDB Entry DOI: 10.7270/Q2Q52S5C
					More data for this Ligand-Target Pair