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 = 'BDBM50138489'   

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))	BDBM50138489 (CHEMBL54860 | Methyl-(4-pyridin-3-yl-but-3-ynyl)-a...) Show SMILES CNCCC#Cc1cccnc1 Show InChI InChI=1S/C10H12N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h4,6,8-9,11H,3,7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity towards nicotinic acetylcholine receptor alpha4-beta2				Bioorg Med Chem Lett 14: 1841-4 (2004) Article DOI: 10.1016/j.bmcl.2003.07.035 BindingDB Entry DOI: 10.7270/Q2MC917Z
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50138489 (CHEMBL54860 | Methyl-(4-pyridin-3-yl-but-3-ynyl)-a...) Show SMILES CNCCC#Cc1cccnc1 Show InChI InChI=1S/C10H12N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h4,6,8-9,11H,3,7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	113	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity towards nicotinic acetylcholine receptor alpha4-beta2 from rat brain homogenates				Bioorg Med Chem Lett 14: 523-6 (2003) BindingDB Entry DOI: 10.7270/Q20P117F
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50138489 (CHEMBL54860 | Methyl-(4-pyridin-3-yl-but-3-ynyl)-a...) Show SMILES CNCCC#Cc1cccnc1 Show InChI InChI=1S/C10H12N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h4,6,8-9,11H,3,7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	113	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Affinity to alpha-4-beta-2 AChR				Bioorg Med Chem Lett 16: 2013-6 (2006) Article DOI: 10.1016/j.bmcl.2005.12.073 BindingDB Entry DOI: 10.7270/Q2WD41TH
					More data for this Ligand-Target Pair