BDBM50069837 3-Ethyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine::CHEMBL85998

SMILES: CCc1cncc(OC[C@@H]2CCCN2C)c1

InChI Key: InChIKey=YPRIYJCKZGHGSZ-LBPRGKRZSA-N

Data: 1 KI  1 EC50

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 2 hits for monomerid = 50069837   

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))	BDBM50069837 (3-Ethyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-py...) Show SMILES CCc1cncc(OC[C@@H]2CCCN2C)c1 Show InChI InChI=1S/C13H20N2O/c1-3-11-7-13(9-14-8-11)16-10-12-5-4-6-15(12)2/h7-9,12H,3-6,10H2,1-2H3/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Stimulation of cation efflux in human nAChR alpha4-beta2 expressing K177 cells				Bioorg Med Chem Lett 8: 249-54 (1999) BindingDB Entry DOI: 10.7270/Q2P26X90
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50069837 (3-Ethyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-py...) Show SMILES CCc1cncc(OC[C@@H]2CCCN2C)c1 Show InChI InChI=1S/C13H20N2O/c1-3-11-7-13(9-14-8-11)16-10-12-5-4-6-15(12)2/h7-9,12H,3-6,10H2,1-2H3/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 Patents Similars	PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.				Bioorg Med Chem Lett 8: 249-54 (1999) BindingDB Entry DOI: 10.7270/Q2P26X90
					More data for this Ligand-Target Pair