Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50199526'   

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))	BDBM50199526 (CHEMBL267591 | N,N'-dimethyl-N-(2-pyridylmethyl)-N...) Show SMILES CN(CCCCCCCCCCN(C)Cc1ccccn1)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:45,THB:41:40:28:30.31.37| Show InChI InChI=1S/C36H53N5O2/c1-28-23-29-24-33-32(17-18-34(42)38-33)36(25-28)31(29)16-14-22-41(36)35(43)27-40(3)21-13-9-7-5-4-6-8-12-20-39(2)26-30-15-10-11-19-37-30/h10-11,15,17-19,23,29,31H,4-9,12-14,16,20-22,24-27H2,1-3H3,(H,38,42)/t29-,31+,36+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	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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