Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7' and Ligand = 'BDBM50454433'   

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-7 (Rattus norvegicus (Rat))	BDBM50454433 (CHEMBL2112851 | N-Desacetyllappaconitine) Show SMILES [H][C@]12CC3[C@](O)([C@H]1OC)[C@](O)(C[C@@H]2OC)[C@]1([H])CC2[C@]33C1N(CC)C[C@@]2(CC[C@@H]3OC)OC(=O)c1ccccc1N |TLB:9:15:19:25.21.24,15:20:18:28.26.27,3:19:15.17:25.21.24,17:18:20.21.24:28.26.27,31:25:19:15.17,22:21:18:28.26.27,29:28:18:20.21.24,THB:6:4:20:18.17,11:9:20:18.17,2:3:20:18.17,28:19:15.17:25.21.24,26:25:19:15.17,5:4:20:18.17,10:9:20:18.17,22:21:19:15.17,7:6:3.2:9.11.12| Show InChI InChI=1S/C30H42N2O7/c1-5-32-15-27(39-26(33)16-8-6-7-9-19(16)31)11-10-23(37-3)29-21(27)13-18(24(29)32)28(34)14-20(36-2)17-12-22(29)30(28,35)25(17)38-4/h6-9,17-18,20-25,34-35H,5,10-15,31H2,1-4H3/t17-,18-,20+,21?,22?,23+,24?,25+,27-,28+,29+,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy and Pharmacology Curated by ChEMBL					Assay Description Binding affinity of Norditerpenoid Alkaloids at rat neuronal alpha7-type nicotinic acetylcholine receptor				J Med Chem 39: 4860-6 (1997) Article DOI: 10.1021/jm9604991 BindingDB Entry DOI: 10.7270/Q2BP03FP
					More data for this Ligand-Target Pair