BDBM50194315 (2R,2'S)-2-(1-methyl-2-pyrrolidinyl)-1,4-benzodioxane hydrochloride::(S)-2-((R)-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)-1-methylpyrrolidine hydrochloride::CHEMBL481368

SMILES: CN1CCC[C@H]1[C@@H]1COc2ccccc2O1

InChI Key: InChIKey=UCVNDHGGPNSSQH-GWCFXTLKSA-N

Data: 3 KI  2 IC50

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 5 hits for monomerid = 50194315   

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 (Rattus norvegicus (Rat))	BDBM50194315 ((2R,2'S)-2-(1-methyl-2-pyrrolidinyl)-1,4-benzodiox...) Show SMILES CN1CCC[C@H]1[C@@H]1COc2ccccc2O1 Show InChI InChI=1S/C13H17NO2/c1-14-8-4-5-10(14)13-9-15-11-6-2-3-7-12(11)16-13/h2-3,6-7,10,13H,4-5,8-9H2,1H3/t10-,13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Pietro Pratesi Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAchR in rat brain cortex membrane				Bioorg Med Chem Lett 19: 854-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.002 BindingDB Entry DOI: 10.7270/Q29K4B2T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha3/beta4 (Homo sapiens (Human))	BDBM50194315 ((2R,2'S)-2-(1-methyl-2-pyrrolidinyl)-1,4-benzodiox...) Show SMILES CN1CCC[C@H]1[C@@H]1COc2ccccc2O1 Show InChI InChI=1S/C13H17NO2/c1-14-8-4-5-10(14)13-9-15-11-6-2-3-7-12(11)16-13/h2-3,6-7,10,13H,4-5,8-9H2,1H3/t10-,13-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in HEK293 cells pretreated for 5 mins followed by [3H]epibatidine addition aft...				Eur J Med Chem 125: 1132-1144 (2017) Article DOI: 10.1016/j.ejmech.2016.10.048 BindingDB Entry DOI: 10.7270/Q2PZ5C8H
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50194315 ((2R,2'S)-2-(1-methyl-2-pyrrolidinyl)-1,4-benzodiox...) Show SMILES CN1CCC[C@H]1[C@@H]1COc2ccccc2O1 Show InChI InChI=1S/C13H17NO2/c1-14-8-4-5-10(14)13-9-15-11-6-2-3-7-12(11)16-13/h2-3,6-7,10,13H,4-5,8-9H2,1H3/t10-,13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Pietro Pratesi Curated by ChEMBL					Assay Description Displacement of [125I]alphaBungarotoxin from alpha7 nAchR in rat brain cortex membrane				Bioorg Med Chem Lett 19: 854-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.002 BindingDB Entry DOI: 10.7270/Q29K4B2T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50194315 ((2R,2'S)-2-(1-methyl-2-pyrrolidinyl)-1,4-benzodiox...) Show SMILES CN1CCC[C@H]1[C@@H]1COc2ccccc2O1 Show InChI InChI=1S/C13H17NO2/c1-14-8-4-5-10(14)13-9-15-11-6-2-3-7-12(11)16-13/h2-3,6-7,10,13H,4-5,8-9H2,1H3/t10-,13-/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	5.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Antagonist activity at human alpha4beta2 nAChR expressed in GH4CL cells by whole-cell patch clamp method				Eur J Med Chem 125: 1132-1144 (2017) Article DOI: 10.1016/j.ejmech.2016.10.048 BindingDB Entry DOI: 10.7270/Q2PZ5C8H
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha3/beta4 (Homo sapiens (Human))	BDBM50194315 ((2R,2'S)-2-(1-methyl-2-pyrrolidinyl)-1,4-benzodiox...) Show SMILES CN1CCC[C@H]1[C@@H]1COc2ccccc2O1 Show InChI InChI=1S/C13H17NO2/c1-14-8-4-5-10(14)13-9-15-11-6-2-3-7-12(11)16-13/h2-3,6-7,10,13H,4-5,8-9H2,1H3/t10-,13-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Antagonist activity at human alpha3beta4 nAChR expressed in GH4CL cells by whole-cell patch clamp method				Eur J Med Chem 125: 1132-1144 (2017) Article DOI: 10.1016/j.ejmech.2016.10.048 BindingDB Entry DOI: 10.7270/Q2PZ5C8H
					More data for this Ligand-Target Pair