BDBM50162984 3-(6-Fluoro-hex-1-ynyl)-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine::CHEMBL176171

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

InChI Key: InChIKey=HZRJVZGFTVHZGZ-INIZCTEOSA-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 = 50162984   

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))	BDBM50162984 (3-(6-Fluoro-hex-1-ynyl)-5-((S)-1-methyl-pyrrolidin...) Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#CCCCCF Show InChI InChI=1S/C17H23FN2O/c1-20-10-6-8-16(20)14-21-17-11-15(12-19-13-17)7-4-2-3-5-9-18/h11-13,16H,2-3,5-6,8-10,14H2,1H3/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.950	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))	BDBM50162984 (3-(6-Fluoro-hex-1-ynyl)-5-((S)-1-methyl-pyrrolidin...) Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#CCCCCF Show InChI InChI=1S/C17H23FN2O/c1-20-10-6-8-16(20)14-21-17-11-15(12-19-13-17)7-4-2-3-5-9-18/h11-13,16H,2-3,5-6,8-10,14H2,1H3/t16-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	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))	BDBM50162984 (3-(6-Fluoro-hex-1-ynyl)-5-((S)-1-methyl-pyrrolidin...) Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#CCCCCF Show InChI InChI=1S/C17H23FN2O/c1-20-10-6-8-16(20)14-21-17-11-15(12-19-13-17)7-4-2-3-5-9-18/h11-13,16H,2-3,5-6,8-10,14H2,1H3/t16-/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	88	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