BDBM50162988 3-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-prop-2-yn-1-ol::CHEMBL175428

SMILES: CN1CCC[C@H]1COc1cncc(c1)C#CCO

InChI Key: InChIKey=AYYXJYPIJMOLEL-ZDUSSCGKSA-N

Data: 3 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 3 hits for monomerid = 50162988   

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))	BDBM50162988 (3-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin...) Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#CCO Show InChI InChI=1S/C14H18N2O2/c1-16-6-2-5-13(16)11-18-14-8-12(4-3-7-17)9-15-10-14/h8-10,13,17H,2,5-7,11H2,1H3/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of [3H]epibatidine binding to rat Nicotinic acetylcholine receptor alpha4-beta2				J Med Chem 48: 1721-4 (2005) Article DOI: 10.1021/jm0492406 BindingDB Entry DOI: 10.7270/Q2BZ65JW
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit (Homo sapiens (Human))	BDBM50162988 (3-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin...) Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#CCO Show InChI InChI=1S/C14H18N2O2/c1-16-6-2-5-13(16)11-18-14-8-12(4-3-7-17)9-15-10-14/h8-10,13,17H,2,5-7,11H2,1H3/t13-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha3-beta2				J Med Chem 48: 1721-4 (2005) Article DOI: 10.1021/jm0492406 BindingDB Entry DOI: 10.7270/Q2BZ65JW
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat))	BDBM50162988 (3-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin...) Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#CCO Show InChI InChI=1S/C14H18N2O2/c1-16-6-2-5-13(16)11-18-14-8-12(4-3-7-17)9-15-10-14/h8-10,13,17H,2,5-7,11H2,1H3/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of [3H]epibatidine binding to rat Nicotinic acetylcholine receptor alpha3-beta4				J Med Chem 48: 1721-4 (2005) Article DOI: 10.1021/jm0492406 BindingDB Entry DOI: 10.7270/Q2BZ65JW
					More data for this Ligand-Target Pair