Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-4/beta-2' and Ligand = 'BDBM50069833'   

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))	BDBM50069833 (3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-propyl-p...) Show SMILES CCCc1cncc(OC[C@@H]2CCCN2C)c1 Show InChI InChI=1S/C14H22N2O/c1-3-5-12-8-14(10-15-9-12)17-11-13-6-4-7-16(13)2/h8-10,13H,3-7,11H2,1-2H3/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.120	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 nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.				Bioorg Med Chem Lett 8: 249-54 (1999) BindingDB Entry DOI: 10.7270/Q2P26X90
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50069833 (3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-propyl-p...) Show SMILES CCCc1cncc(OC[C@@H]2CCCN2C)c1 Show InChI InChI=1S/C14H22N2O/c1-3-5-12-8-14(10-15-9-12)17-11-13-6-4-7-16(13)2/h8-10,13H,3-7,11H2,1-2H3/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.				Bioorg Med Chem Lett 8: 249-54 (1999) BindingDB Entry DOI: 10.7270/Q2P26X90
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50069833 (3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-propyl-p...) Show SMILES CCCc1cncc(OC[C@@H]2CCCN2C)c1 Show InChI InChI=1S/C14H22N2O/c1-3-5-12-8-14(10-15-9-12)17-11-13-6-4-7-16(13)2/h8-10,13H,3-7,11H2,1-2H3/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Stimulation of cation efflux in human nAChR alpha4-beta2 expressing K177 cells				Bioorg Med Chem Lett 8: 249-54 (1999) BindingDB Entry DOI: 10.7270/Q2P26X90
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50069833 (3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-propyl-p...) Show SMILES CCCc1cncc(OC[C@@H]2CCCN2C)c1 Show InChI InChI=1S/C14H22N2O/c1-3-5-12-8-14(10-15-9-12)17-11-13-6-4-7-16(13)2/h8-10,13H,3-7,11H2,1-2H3/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.				Bioorg Med Chem Lett 8: 249-54 (1999) BindingDB Entry DOI: 10.7270/Q2P26X90
					More data for this Ligand-Target Pair