Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-3/beta-4' and Ligand = 'BDBM50331011'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50331011 (1-(1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indol...) Show SMILES CN1C2CCCC1CC(C2)N1C(=O)Cc2ccccc12 |TLB:10:8:1:3.5.4| Show InChI InChI=1S/C17H22N2O/c1-18-13-6-4-7-14(18)11-15(10-13)19-16-8-3-2-5-12(16)9-17(19)20/h2-3,5,8,13-15H,4,6-7,9-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	508	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK292 cells after 3 hrs				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50331011 (1-(1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indol...) Show SMILES CN1C2CCCC1CC(C2)N1C(=O)Cc2ccccc12 |TLB:10:8:1:3.5.4| Show InChI InChI=1S/C17H22N2O/c1-18-13-6-4-7-14(18)11-15(10-13)19-16-8-3-2-5-12(16)9-17(19)20/h2-3,5,8,13-15H,4,6-7,9-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Antagonist activity at rat alpha3beta4 nAChR expressed in HEK292 cells assessed as inhibition of epibatidine-induced calcium influx by FLIPR assay				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50331011 (1-(1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indol...) Show SMILES CN1C2CCCC1CC(C2)N1C(=O)Cc2ccccc12 |TLB:10:8:1:3.5.4| Show InChI InChI=1S/C17H22N2O/c1-18-13-6-4-7-14(18)11-15(10-13)19-16-8-3-2-5-12(16)9-17(19)20/h2-3,5,8,13-15H,4,6-7,9-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Agonist activity at rat alpha3beta4 nAChR expressed in HEK292 cells assessed as increase of calcium influx by FLIPR assay				J Med Chem 53: 8187-91 (2010) Article DOI: 10.1021/jm1006148 BindingDB Entry DOI: 10.7270/Q2MC9080
					More data for this Ligand-Target Pair