Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-4/beta-2' and Ligand = 'BDBM50226624'   

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))	BDBM50226624 (2-chloro-5,5a,6,7,8,10-hexahydro-5,8-methanopyrrol...) Show SMILES Clc1ccc2C3CC4CCC3N4Cc2n1 |w:7.6,10.9,5.5,TLB:12:11:8.9:5.6,THB:4:5:11:8.9,TEB:9:10:7.6:12.13.4| Show InChI InChI=1S/C12H13ClN2/c13-12-4-2-8-9-5-7-1-3-11(9)15(7)6-10(8)14-12/h2,4,7,9,11H,1,3,5-6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha-4-beta-2 nAChR				J Med Chem 50: 6383-91 (2007) Article DOI: 10.1021/jm0704696 BindingDB Entry DOI: 10.7270/Q25H7HGG
					More data for this Ligand-Target Pair