Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholine-binding protein' and Ligand = 'BDBM50520706'   

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-binding protein (Lymnaea stagnalis)	BDBM50520706 (CHEMBL4437423) Show SMILES C(Oc1cccnc1)C1(Cc2ccc(cc2)-c2ccccc2)CCCNC1 Show InChI InChI=1S/C24H26N2O/c1-2-6-21(7-3-1)22-11-9-20(10-12-22)16-24(13-5-15-26-18-24)19-27-23-8-4-14-25-17-23/h1-4,6-12,14,17,26H,5,13,15-16,18-19H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
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