Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50199549'   

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))	BDBM50199549 (CHEMBL413240 | N,N'-dimethyl-N,N'-bis[3-(1-oxo-8,1...) Show SMILES CN(CCCCCCCCCCN(C)CCCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:37,63,THB:29:30:21:32.35.33,56:55:43:45.46.52,25:24:21:32.35.33| Show InChI InChI=1S/C50H76N6O2/c1-37-31-39-33-45-43(19-21-47(57)51-45)49(35-37)41(39)17-13-27-55(49)29-15-25-53(3)23-11-9-7-5-6-8-10-12-24-54(4)26-16-30-56-28-14-18-42-40-32-38(2)36-50(42,56)44-20-22-48(58)52-46(44)34-40/h19-22,31-32,39-42H,5-18,23-30,33-36H2,1-4H3,(H,51,57)(H,52,58)/t39-,40-,41+,42+,49+,50+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26.2	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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