BDBM50147112 2-hydroxy-N,N,N-trimethylpropanaminium::2-methylcholine::CHEMBL107582::beta-methylcholine

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

InChI Key: InChIKey=JPKKMFOXWKNEEN-UHFFFAOYSA-N

Data: 1 KI

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 = 50147112   

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
Creatine transporter (Rattus norvegicus)	BDBM50147112 (2-hydroxy-N,N,N-trimethylpropanaminium | 2-methylc...) Show SMILES CC(O)C[N+](C)(C)C Show InChI InChI=1S/C6H16NO/c1-6(8)5-7(2,3)4/h6,8H,5H2,1-4H3/q+1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Texas Tech University Health Sciences Center Curated by ChEMBL					Assay Description Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats				Bioorg Med Chem Lett 14: 3085-92 (2004) Article DOI: 10.1016/j.bmcl.2004.04.020 BindingDB Entry DOI: 10.7270/Q2BG2PJR
					More data for this Ligand-Target Pair