Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholine-binding protein' and Ligand = 'BDBM92877'   

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)	BDBM92877 (Quinuclidine analogue, 4) Show SMILES Brc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)C1Cc1cccnc1 |r,wU:10.10,(12.27,6.78,;11.05,5.89,;9.72,6.66,;8.39,5.89,;8.39,4.35,;9.72,3.58,;11.05,4.35,;7.05,3.58,;7.05,2.04,;5.72,4.35,;4.39,3.58,;3.05,4.35,;1.72,3.58,;1.72,2.04,;3.05,1.27,;2.83,2.56,;3.77,3.23,;4.39,2.04,;5.72,1.27,;5.72,-.27,;4.39,-1.04,;4.39,-2.58,;5.72,-3.35,;7.05,-2.58,;7.05,-1.04,)| Show InChI InChI=1S/C20H22BrN3O/c21-17-5-3-16(4-6-17)20(25)23-19-15-7-10-24(11-8-15)18(19)12-14-2-1-9-22-13-14/h1-6,9,13,15,18-19H,7-8,10-12H2,(H,23,25)/t18?,19-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	53.5	n/a	n/a	n/a	7.4	25
Beactica AB					Assay Description Interaction assay using AChBP.				Biochemistry 49: 8143-54 (2010) Article DOI: 10.1021/bi1006354 BindingDB Entry DOI: 10.7270/Q2TB15HP
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