Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50199530'   

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))	BDBM50199530 (CHEMBL242755 | N,N'-dimethyl-N-(1-naphthylmethyl)-...) Show SMILES CN(CCCCCCCCCCN(C)Cc1cccc2ccccc12)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:50,THB:45:44:32:34.35.41| Show InChI InChI=1S/C41H56N4O2/c1-31-26-34-27-38-37(21-22-39(46)42-38)41(28-31)36(34)20-15-25-45(41)40(47)30-44(3)24-13-9-7-5-4-6-8-12-23-43(2)29-33-18-14-17-32-16-10-11-19-35(32)33/h10-11,14,16-19,21-22,26,34,36H,4-9,12-13,15,20,23-25,27-30H2,1-3H3,(H,42,46)/t34-,36+,41+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	121	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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