BDBM50287850 (S)-2-(3-Methoxy-phenoxymethyl)-1-methyl-pyrrolidine::CHEMBL305820

SMILES: COc1cccc(OC[C@@H]2CCCN2C)c1

InChI Key: InChIKey=UXWRSTLOGBZMGL-NSHDSACASA-N

Data: 4 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 4 hits for monomerid = 50287850   

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
Nicotinic acetylcholine receptor alpha9/alpha10 (Rattus norvegicus)	BDBM50287850 ((S)-2-(3-Methoxy-phenoxymethyl)-1-methyl-pyrrolidi...) Show SMILES COc1cccc(OC[C@@H]2CCCN2C)c1 Show InChI InChI=1S/C13H19NO2/c1-14-8-4-5-11(14)10-16-13-7-3-6-12(9-13)15-2/h3,6-7,9,11H,4-5,8,10H2,1-2H3/t11-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	175	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against neuronal nicotinic acetylcholine receptor(nAChR) by using [3H]-Cytisine as radioligand in whole rat brain				Bioorg Med Chem Lett 6: 2283-2288 (1996) Article DOI: 10.1016/0960-894X(96)00416-7 BindingDB Entry DOI: 10.7270/Q2C82999
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50287850 ((S)-2-(3-Methoxy-phenoxymethyl)-1-methyl-pyrrolidi...) Show SMILES COc1cccc(OC[C@@H]2CCCN2C)c1 Show InChI InChI=1S/C13H19NO2/c1-14-8-4-5-11(14)10-16-13-7-3-6-12(9-13)15-2/h3,6-7,9,11H,4-5,8,10H2,1-2H3/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	175	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]-cytisine from alpha4beta2-nACHR in rat whole brain				Bioorg Med Chem Lett 26: 5613-5617 (2016) Article DOI: 10.1016/j.bmcl.2016.10.078 BindingDB Entry DOI: 10.7270/Q2RJ4MFR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50287850 ((S)-2-(3-Methoxy-phenoxymethyl)-1-methyl-pyrrolidi...) Show SMILES COc1cccc(OC[C@@H]2CCCN2C)c1 Show InChI InChI=1S/C13H19NO2/c1-14-8-4-5-11(14)10-16-13-7-3-6-12(9-13)15-2/h3,6-7,9,11H,4-5,8,10H2,1-2H3/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	600	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 alpha4beta2-nACHR in rat cerebral cortex membranes preincubated for 30 mins followed by overnight incubation wi...				Bioorg Med Chem Lett 26: 5613-5617 (2016) Article DOI: 10.1016/j.bmcl.2016.10.078 BindingDB Entry DOI: 10.7270/Q2RJ4MFR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha3/beta4 (Homo sapiens (Human))	BDBM50287850 ((S)-2-(3-Methoxy-phenoxymethyl)-1-methyl-pyrrolidi...) Show SMILES COc1cccc(OC[C@@H]2CCCN2C)c1 Show InChI InChI=1S/C13H19NO2/c1-14-8-4-5-11(14)10-16-13-7-3-6-12(9-13)15-2/h3,6-7,9,11H,4-5,8,10H2,1-2H3/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.50E+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]-epibatine from human alpha3beta4-nACHR expressed in HEK243 cell membranes preincubated for 5 mins followed by overnight incubati...				Bioorg Med Chem Lett 26: 5613-5617 (2016) Article DOI: 10.1016/j.bmcl.2016.10.078 BindingDB Entry DOI: 10.7270/Q2RJ4MFR
					More data for this Ligand-Target Pair