Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50199556'   

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))	BDBM50199556 (CHEMBL395274 | N,N'-dimethyl-N,N'-bis(1-oxo-8,15-d...) Show SMILES CN(CCN(C)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:29,55,THB:17:16:13:24.27.25,21:22:13:24.27.25,48:47:35:37.38.44| Show InChI InChI=1S/C40H52N6O4/c1-25-17-27-19-33-31(9-11-35(47)41-33)39(21-25)29(27)7-5-13-45(39)37(49)23-43(3)15-16-44(4)24-38(50)46-14-6-8-30-28-18-26(2)22-40(30,46)32-10-12-36(48)42-34(32)20-28/h9-12,17-18,27-30H,5-8,13-16,19-24H2,1-4H3,(H,41,47)(H,42,48)/t27-,28-,29+,30+,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	1.02E+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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