BDBM50328001 3-[(2(S)-Pyrrolidinyl)methoxy]-5-(piperazinyl)pyridine trihydrochloride::CHEMBL1258574

SMILES: C(Oc1cncc(c1)N1CCNCC1)[C@@H]1CCCN1

InChI Key: InChIKey=LODGVBKVJHTNDH-LBPRGKRZSA-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 = 50328001   

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 Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50328001 (3-[(2(S)-Pyrrolidinyl)methoxy]-5-(piperazinyl)pyri...) Show SMILES C(Oc1cncc(c1)N1CCNCC1)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C14H22N4O/c1-2-12(17-3-1)11-19-14-8-13(9-16-10-14)18-6-4-15-5-7-18/h8-10,12,15,17H,1-7,11H2/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inactivation of nAChR alpha4beta2 in human SH-EP1 cells				J Med Chem 53: 6973-85 (2010) Article DOI: 10.1021/jm100765u BindingDB Entry DOI: 10.7270/Q25B03RQ
					More data for this Ligand-Target Pair