Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholine receptor subunit alpha/beta/delta/gamma' and Ligand = 'BDBM50038413'   

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
Acetylcholine receptor subunit alpha/beta/delta/gamma (Torpedo californica)	BDBM50038413 (CHEMBL136284 | N,N'-(2,3-dihydroxylbenzyl)-N,N,N',...) Show SMILES C[N+](C)(CCCCCC[N+](C)(C)Cc1cccc(O)c1O)Cc1cccc(O)c1O Show InChI InChI=1S/C24H36N2O4/c1-25(2,17-19-11-9-13-21(27)23(19)29)15-7-5-6-8-16-26(3,4)18-20-12-10-14-22(28)24(20)30/h9-14H,5-8,15-18H2,1-4H3,(H2-2,27,28,29,30)/p+2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toledo Curated by ChEMBL					Assay Description Binding affinity against nicotinic acetylcholine receptor (nAChR)				J Med Chem 37: 4417-20 (1995) Checked by Author BindingDB Entry DOI: 10.7270/Q24F1PS9
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma (Torpedo californica)	BDBM50038413 (CHEMBL136284 | N,N'-(2,3-dihydroxylbenzyl)-N,N,N',...) Show SMILES C[N+](C)(CCCCCC[N+](C)(C)Cc1cccc(O)c1O)Cc1cccc(O)c1O Show InChI InChI=1S/C24H36N2O4/c1-25(2,17-19-11-9-13-21(27)23(19)29)15-7-5-6-8-16-26(3,4)18-20-12-10-14-22(28)24(20)30/h9-14H,5-8,15-18H2,1-4H3,(H2-2,27,28,29,30)/p+2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a
University of Toledo Curated by ChEMBL					Assay Description Compound was evaluated for the binding constant for association with nicotinic acetylcholine receptor (nAChR)				J Med Chem 37: 4417-20 (1995) Checked by Author BindingDB Entry DOI: 10.7270/Q24F1PS9
					More data for this Ligand-Target Pair