BDBM50328005 3-[(2(S)-Pyrrolidinyl)methoxy]-5-[(N-ethyl-N-phenyl)amino]-pyridine trihydrochloride::CHEMBL1258801

SMILES: CCN(c1ccccc1)c1cncc(OC[C@@H]2CCCN2)c1

InChI Key: InChIKey=ZJQOMJMNNGHWEE-HNNXBMFYSA-N

Data: 1 IC50  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 = 50328005   

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))	BDBM50328005 (3-[(2(S)-Pyrrolidinyl)methoxy]-5-[(N-ethyl-N-pheny...) Show SMILES CCN(c1ccccc1)c1cncc(OC[C@@H]2CCCN2)c1 |r| Show InChI InChI=1S/C18H23N3O/c1-2-21(16-8-4-3-5-9-16)17-11-18(13-19-12-17)22-14-15-7-6-10-20-15/h3-5,8-9,11-13,15,20H,2,6-7,10,14H2,1H3/t15-/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	2.34E+3	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
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50328005 (3-[(2(S)-Pyrrolidinyl)methoxy]-5-[(N-ethyl-N-pheny...) Show SMILES CCN(c1ccccc1)c1cncc(OC[C@@H]2CCCN2)c1 |r| Show InChI InChI=1S/C18H23N3O/c1-2-21(16-8-4-3-5-9-16)17-11-18(13-19-12-17)22-14-15-7-6-10-20-15/h3-5,8-9,11-13,15,20H,2,6-7,10,14H2,1H3/t15-/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	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at human nAChR alpha4beta2 in human SH-EP1 cells assessed as induction in rubidium efflux				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