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 = 'BDBM50088630'   

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))	BDBM50088630 (2-Chloro-3-(3-methoxy-phenyl)-5-((R)-pyrrolidin-3-...) Show SMILES COc1cccc(c1)-c1cc(O[C@@H]2CCNC2)cnc1Cl Show InChI InChI=1S/C16H17ClN2O2/c1-20-12-4-2-3-11(7-12)15-8-14(10-19-16(15)17)21-13-5-6-18-9-13/h2-4,7-8,10,13,18H,5-6,9H2,1H3/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Evaluated for binding affinity towards nicotinic acetylcholine receptor alpha4-beta2				Bioorg Med Chem Lett 10: 1063-6 (2000) BindingDB Entry DOI: 10.7270/Q2PK0HBC
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