Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50199539'   

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
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50199539 (CHEMBL244026 | N,N'-dimethyl-N,N'-bis[2-(1-oxo-8,1...) Show SMILES CN(CCN(C)CCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:28,53,THB:41:42:33:44.47.45,25:24:12:14.15.21,37:36:33:44.47.45| Show InChI InChI=1S/C40H56N6O2/c1-27-21-29-23-35-33(9-11-37(47)41-35)39(25-27)31(29)7-5-13-45(39)19-17-43(3)15-16-44(4)18-20-46-14-6-8-32-30-22-28(2)26-40(32,46)34-10-12-38(48)42-36(34)24-30/h9-12,21-22,29-32H,5-8,13-20,23-26H2,1-4H3,(H,41,47)(H,42,48)/t29-,30-,31+,32+,39+,40+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.48E+3	n/a	n/a	n/a	n/a	5.0	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of AChE in rat cortex at pH 5				Bioorg Med Chem 15: 1394-408 (2007) Article DOI: 10.1016/j.bmc.2006.11.009 BindingDB Entry DOI: 10.7270/Q27W6BTX
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