Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-4/beta-2' and Ligand = 'BDBM50328012'   

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))	BDBM50328012 (3-[(2(S)-Pyrrolidinyl)methoxy]-5-(thiomorpholinyl)...) Show SMILES C(Oc1cncc(c1)N1CCSCC1)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C14H21N3OS/c1-2-12(16-3-1)11-18-14-8-13(9-15-10-14)17-4-6-19-7-5-17/h8-10,12,16H,1-7,11H2/t12-/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	640	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
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50328012 (3-[(2(S)-Pyrrolidinyl)methoxy]-5-(thiomorpholinyl)...) Show SMILES C(Oc1cncc(c1)N1CCSCC1)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C14H21N3OS/c1-2-12(16-3-1)11-18-14-8-13(9-15-10-14)17-4-6-19-7-5-17/h8-10,12,16H,1-7,11H2/t12-/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	n/a	n/a	400	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at human nAChR alpha4beta2 in human SH-EP1 cells assessed as induction in rubidium efflux				J Med Chem 53: 6973-85 (2010) Article DOI: 10.1021/jm100765u BindingDB Entry DOI: 10.7270/Q25B03RQ
					More data for this Ligand-Target Pair