BDBM50097596 3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-((E)-2-pyridin-4-yl-vinyl)-pyridine::CHEMBL446684

SMILES: CN1CCC[C@H]1COc1cncc(\C=C\c2ccncc2)c1

InChI Key: InChIKey=FVNGUFJAYQSADF-BDUNBXCCSA-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 = 50097596   

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 protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50097596 (3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-((E)-2-p...) Show SMILES CN1CCC[C@H]1COc1cncc(\C=C\c2ccncc2)c1 Show InChI InChI=1S/C18H21N3O/c1-21-10-2-3-17(21)14-22-18-11-16(12-20-13-18)5-4-15-6-8-19-9-7-15/h4-9,11-13,17H,2-3,10,14H2,1H3/b5-4+/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro ability to displace [3H]-(-)-cytisine binding to whole rat brain membranes at Nicotinic acetylcholine receptor alpha4-beta2				Bioorg Med Chem Lett 11: 631-3 (2001) BindingDB Entry DOI: 10.7270/Q2WM1CPS
					More data for this Ligand-Target Pair