Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50199525'   

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))	BDBM50199525 (CHEMBL389580 | N,N'-dimethyl-N-(1-naphthylmethyl)-...) Show SMILES CN(CCCCCCN(C)Cc1cccc2ccccc12)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:46,THB:41:40:28:30.31.37| Show InChI InChI=1S/C37H48N4O2/c1-27-22-30-23-34-33(17-18-35(42)38-34)37(24-27)32(30)16-11-21-41(37)36(43)26-40(3)20-9-5-4-8-19-39(2)25-29-14-10-13-28-12-6-7-15-31(28)29/h6-7,10,12-15,17-18,22,30,32H,4-5,8-9,11,16,19-21,23-26H2,1-3H3,(H,38,42)/t30-,32+,37+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	124	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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