BDBM50433573 CHEMBL2381570

SMILES: CN1CCC[C@H]1COC(=O)c1cccc(N)c1

InChI Key: InChIKey=LPUSMQXNPXCRTA-LBPRGKRZSA-N

Data: 1 KI  4 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 = 50433573   

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))	BDBM50433573 (CHEMBL2381570) Show SMILES CN1CCC[C@H]1COC(=O)c1cccc(N)c1 |r| Show InChI InChI=1S/C13H18N2O2/c1-15-7-3-6-12(15)9-17-13(16)10-4-2-5-11(14)8-10/h2,4-5,8,12H,3,6-7,9,14H2,1H3/t12-/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	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Chile Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR overexpressed in human SHEP cells after 75 mins by liquid scintillation spectrometric analy...				Bioorg Med Chem 21: 2687-94 (2013) Article DOI: 10.1016/j.bmc.2013.03.024 BindingDB Entry DOI: 10.7270/Q2MW2JJQ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50433573 (CHEMBL2381570) Show SMILES CN1CCC[C@H]1COC(=O)c1cccc(N)c1 |r| Show InChI InChI=1S/C13H18N2O2/c1-15-7-3-6-12(15)9-17-13(16)10-4-2-5-11(14)8-10/h2,4-5,8,12H,3,6-7,9,14H2,1H3/t12-/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	28	n/a	n/a	n/a	n/a	n/a	n/a
University of Chile Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR overexpressed in human SHEP cells after 75 mins by liquid scintillation spectrometric analy...				Bioorg Med Chem 21: 2687-94 (2013) Article DOI: 10.1016/j.bmc.2013.03.024 BindingDB Entry DOI: 10.7270/Q2MW2JJQ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50433573 (CHEMBL2381570) Show SMILES CN1CCC[C@H]1COC(=O)c1cccc(N)c1 |r| Show InChI InChI=1S/C13H18N2O2/c1-15-7-3-6-12(15)9-17-13(16)10-4-2-5-11(14)8-10/h2,4-5,8,12H,3,6-7,9,14H2,1H3/t12-/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	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Chile Curated by ChEMBL					Assay Description Antagonist activity at (alpha4beta2)2beta2 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced curren...				Bioorg Med Chem 21: 2687-94 (2013) Article DOI: 10.1016/j.bmc.2013.03.024 BindingDB Entry DOI: 10.7270/Q2MW2JJQ
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor alpha4/beta2/alpha5 (Homo sapiens (Human))	BDBM50433573 (CHEMBL2381570) Show SMILES CN1CCC[C@H]1COC(=O)c1cccc(N)c1 |r| Show InChI InChI=1S/C13H18N2O2/c1-15-7-3-6-12(15)9-17-13(16)10-4-2-5-11(14)8-10/h2,4-5,8,12H,3,6-7,9,14H2,1H3/t12-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Chile Curated by ChEMBL					Assay Description Antagonist activity at (alpha4beta2)2alpha5 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced curre...				Bioorg Med Chem 21: 2687-94 (2013) Article DOI: 10.1016/j.bmc.2013.03.024 BindingDB Entry DOI: 10.7270/Q2MW2JJQ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50433573 (CHEMBL2381570) Show SMILES CN1CCC[C@H]1COC(=O)c1cccc(N)c1 |r| Show InChI InChI=1S/C13H18N2O2/c1-15-7-3-6-12(15)9-17-13(16)10-4-2-5-11(14)8-10/h2,4-5,8,12H,3,6-7,9,14H2,1H3/t12-/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	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Chile Curated by ChEMBL					Assay Description Antagonist activity at (alpha4beta2)2alpha4 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced curre...				Bioorg Med Chem 21: 2687-94 (2013) Article DOI: 10.1016/j.bmc.2013.03.024 BindingDB Entry DOI: 10.7270/Q2MW2JJQ
					More data for this Ligand-Target Pair