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 = 'BDBM50328003'   

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))	BDBM50328003 (3-(1-Indolyl)-5-(2(S)-pyrrolidinylmethoxy)pyridine...) Show SMILES C(Oc1cncc(c1)-n1ccc2ccccc12)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C18H19N3O/c1-2-6-18-14(4-1)7-9-21(18)16-10-17(12-19-11-16)22-13-15-5-3-8-20-15/h1-2,4,6-7,9-12,15,20H,3,5,8,13H2/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inactivation of nAChR alpha4beta2 in human SH-EP1 cells				J Med Chem 53: 6973-85 (2010) Article DOI: 10.1021/jm100765u BindingDB Entry DOI: 10.7270/Q25B03RQ
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