BDBM50026219 1-(2-Hydroxy-ethyl)-1-propyl-aziridinium; chloride::CHEMBL125710

SMILES: CCC[N+]1(CCO)CC1

InChI Key: InChIKey=KLRQIVPKFAEURO-UHFFFAOYSA-N

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 = 50026219   

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
Choline transporter (Mus musculus)	BDBM50026219 (1-(2-Hydroxy-ethyl)-1-propyl-aziridinium; chloride...) Show SMILES CCC[N+]1(CCO)CC1 Show InChI InChI=1S/C7H16NO/c1-2-3-8(4-5-8)6-7-9/h9H,2-7H2,1H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in vitro for its ability to inhibit the transport of [3H]-choline in to high affinity choline transport system HAChT				J Med Chem 29: 376-80 (1986) BindingDB Entry DOI: 10.7270/Q2CJ8CHV
					More data for this Ligand-Target Pair