Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-4/beta-2' and Ligand = 'BDBM50143302'   

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-4/beta-2 (Homo sapiens (Human))	BDBM50143302 ((S)-1-dodecyl-3-(1-methylpyrrolidin-2-yl)pyridiniu...) Show SMILES CCCCCCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C Show InChI InChI=1S/C22H39N2/c1-3-4-5-6-7-8-9-10-11-12-18-24-19-13-15-21(20-24)22-16-14-17-23(22)2/h13,15,19-20,22H,3-12,14,16-18H2,1-2H3/q+1/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	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 Binding affinity to alpha4beta2 nAChR (unknown origin)				Eur J Med Chem 101: 367-83 (2015) Article DOI: 10.1016/j.ejmech.2015.06.039 BindingDB Entry DOI: 10.7270/Q25M67H8
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50143302 ((S)-1-dodecyl-3-(1-methylpyrrolidin-2-yl)pyridiniu...) Show SMILES CCCCCCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C Show InChI InChI=1S/C22H39N2/c1-3-4-5-6-7-8-9-10-11-12-18-24-19-13-15-21(20-24)22-16-14-17-23(22)2/h13,15,19-20,22H,3-12,14,16-18H2,1-2H3/q+1/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibitory activity of the compound against nAChR mediated nicotine-evoked [3H]-DA overflow using rat striatal slices				Bioorg Med Chem Lett 14: 1869-74 (2004) Article DOI: 10.1016/j.bmcl.2003.10.074 BindingDB Entry DOI: 10.7270/Q21N80JP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50143302 ((S)-1-dodecyl-3-(1-methylpyrrolidin-2-yl)pyridiniu...) Show SMILES CCCCCCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C Show InChI InChI=1S/C22H39N2/c1-3-4-5-6-7-8-9-10-11-12-18-24-19-13-15-21(20-24)22-16-14-17-23(22)2/h13,15,19-20,22H,3-12,14,16-18H2,1-2H3/q+1/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibitory activity of the compound against nAChR mediated nicotine-evoked [3H]-DA overflow using rat striatal slices				Bioorg Med Chem Lett 14: 1869-74 (2004) Article DOI: 10.1016/j.bmcl.2003.10.074 BindingDB Entry DOI: 10.7270/Q21N80JP
					More data for this Ligand-Target Pair