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 = 'BDBM50226621'   

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))	BDBM50226621 (3-chloro-5,7,8,9,9a,10-hexahydro-7,10-methanopyrro...) Show SMILES Clc1cc2CN3C4CCC3C(C4)c2cn1 |w:6.12,9.8,10.11,TLB:12:10:5:7.8,THB:4:5:7.8:10.11,TEB:8:9:6.11:4.3.12| Show InChI InChI=1S/C12H13ClN2/c13-12-3-7-6-15-8-1-2-11(15)9(4-8)10(7)5-14-12/h3,5,8-9,11H,1-2,4,6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.33E+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
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