Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-4/beta-2' and Ligand = 'BDBM50062641'   

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))	BDBM50062641 (5-((R)-1-Azetidin-2-ylmethoxy)-2-chloro-pyridine |...) Show SMILES Clc1ccc(OC[C@H]2CCN2)cn1 |r| Show InChI InChI=1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand				Bioorg Med Chem Lett 8: 2797-802 (1999) BindingDB Entry DOI: 10.7270/Q23J3FGV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50062641 (5-((R)-1-Azetidin-2-ylmethoxy)-2-chloro-pyridine |...) Show SMILES Clc1ccc(OC[C@H]2CCN2)cn1 |r| Show InChI InChI=1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.0550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratory Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [125I]alpha-bungarotoxin (alpha-BgT) from K28 cells expressing human Nicotinic acetylcholine recep...				J Med Chem 41: 407-12 (1998) Article DOI: 10.1021/jm9706224 BindingDB Entry DOI: 10.7270/Q2CJ8F56
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50062641 (5-((R)-1-Azetidin-2-ylmethoxy)-2-chloro-pyridine |...) Show SMILES Clc1ccc(OC[C@H]2CCN2)cn1 |r| Show InChI InChI=1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.0550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratory Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]cytisine from K177 cells expressing human Nicotinic acetylcholine receptor alpha4-beta2				J Med Chem 41: 407-12 (1998) Article DOI: 10.1021/jm9706224 BindingDB Entry DOI: 10.7270/Q2CJ8F56
					More data for this Ligand-Target Pair