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 = 'BDBM50121746'   

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 (Rattus norvegicus (Rat))	BDBM50121746 ((4-Pyridin-2-ylmethyl-piperazin-1-yl)-(S)-pyrrolid...) Show SMILES O=C([C@@H]1CCCN1)N1CCN(Cc2ccccn2)CC1 Show InChI InChI=1S/C15H22N4O/c20-15(14-5-3-7-17-14)19-10-8-18(9-11-19)12-13-4-1-2-6-16-13/h1-2,4,6,14,17H,3,5,7-12H2/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity towards alpha4-beta2 measured by using the inhibition of [3H]NIC binding to rat striatal membrane				Bioorg Med Chem Lett 13: 97-100 (2002) BindingDB Entry DOI: 10.7270/Q2736RF1
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