Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50199516'   

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))	BDBM50199516 (CHEMBL413242 | N,N'-dimethyl-N-(2-pyridylmethyl)-N...) Show SMILES CN(CCCCCCCCCCCCN(C)Cc1ccccn1)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:47,THB:43:42:30:32.33.39| Show InChI InChI=1S/C38H57N5O2/c1-30-25-31-26-35-34(19-20-36(44)40-35)38(27-30)33(31)18-16-24-43(38)37(45)29-42(3)23-15-11-9-7-5-4-6-8-10-14-22-41(2)28-32-17-12-13-21-39-32/h12-13,17,19-21,25,31,33H,4-11,14-16,18,22-24,26-29H2,1-3H3,(H,40,44)/t31-,33+,38+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65.8	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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