Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50043552   

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))	BDBM86312 (CAS_84607 | DMCC | NSC_84607) Show SMILES CN(C)C(=O)OCC[N+](C)(C)C Show InChI InChI=1S/C8H19N2O2/c1-9(2)8(11)12-7-6-10(3,4)5/h6-7H2,1-5H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Milano Curated by ChEMBL					Assay Description Binding affinity to alpha4beta2 nAChR (unknown origin)				Bioorg Med Chem Lett 23: 6481-5 (2013) Article DOI: 10.1016/j.bmcl.2013.09.023 BindingDB Entry DOI: 10.7270/Q22V2HKF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM82546 (CAS_14721-69-8 | MCC | N-methylcarbamylcholine | N...) Show SMILES CNC(=O)OCC[N+](C)(C)C Show InChI InChI=1S/C7H16N2O2/c1-8-7(10)11-6-5-9(2,3)4/h5-6H2,1-4H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Milano Curated by ChEMBL					Assay Description Binding affinity to alpha4beta2 nAChR (unknown origin)				Bioorg Med Chem Lett 23: 6481-5 (2013) Article DOI: 10.1016/j.bmcl.2013.09.023 BindingDB Entry DOI: 10.7270/Q22V2HKF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50004656 ((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...) Show SMILES C[N+](C)(C)CCOC(N)=O Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Milano Curated by ChEMBL					Assay Description Binding affinity to alpha4beta2 nAChR (unknown origin)				Bioorg Med Chem Lett 23: 6481-5 (2013) Article DOI: 10.1016/j.bmcl.2013.09.023 BindingDB Entry DOI: 10.7270/Q22V2HKF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM86310 (DMCAE) Show SMILES CN(C)CCOC(=O)N(C)C Show InChI InChI=1S/C7H16N2O2/c1-8(2)5-6-11-7(10)9(3)4/h5-6H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Milano Curated by ChEMBL					Assay Description Binding affinity to alpha4beta2 nAChR (unknown origin)				Bioorg Med Chem Lett 23: 6481-5 (2013) Article DOI: 10.1016/j.bmcl.2013.09.023 BindingDB Entry DOI: 10.7270/Q22V2HKF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM82546 (CAS_14721-69-8 | MCC | N-methylcarbamylcholine | N...) Show SMILES CNC(=O)OCC[N+](C)(C)C Show InChI InChI=1S/C7H16N2O2/c1-8-7(10)11-6-5-9(2,3)4/h5-6H2,1-4H3/p+1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Milano Curated by ChEMBL					Assay Description Binding affinity to alpha7 nAChR (unknown origin)				Bioorg Med Chem Lett 23: 6481-5 (2013) Article DOI: 10.1016/j.bmcl.2013.09.023 BindingDB Entry DOI: 10.7270/Q22V2HKF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50004656 ((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...) Show SMILES C[N+](C)(C)CCOC(N)=O Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Milano Curated by ChEMBL					Assay Description Binding affinity to alpha7 nAChR (unknown origin)				Bioorg Med Chem Lett 23: 6481-5 (2013) Article DOI: 10.1016/j.bmcl.2013.09.023 BindingDB Entry DOI: 10.7270/Q22V2HKF
					More data for this Ligand-Target Pair