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 = 'BDBM50328002'   

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))	BDBM50328002 (3-(1,3-Dihydro-2H-isoindol-2-yl)-5-[(2(S)-pyrrolid...) Show SMILES C(Oc1cncc(c1)N1Cc2ccccc2C1)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C18H21N3O/c1-2-5-15-12-21(11-14(15)4-1)17-8-18(10-19-9-17)22-13-16-6-3-7-20-16/h1-2,4-5,8-10,16,20H,3,6-7,11-13H2/t16-/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	n/a	n/a	>1.00E+5	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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