Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50199535'   

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))	BDBM50199535 (CHEMBL413018 | N,N'-dimethyl-N,N'-bis[2-(1-oxo-8,1...) Show SMILES CN(CCCN(C)CCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:29,54,THB:47:46:34:36.37.43,21:22:13:24.27.25,17:16:13:24.27.25| Show InChI InChI=1S/C41H58N6O2/c1-28-22-30-24-36-34(10-12-38(48)42-36)40(26-28)32(30)8-5-16-46(40)20-18-44(3)14-7-15-45(4)19-21-47-17-6-9-33-31-23-29(2)27-41(33,47)35-11-13-39(49)43-37(35)25-31/h10-13,22-23,30-33H,5-9,14-21,24-27H2,1-4H3,(H,42,48)(H,43,49)/t30-,31-,32+,33+,40+,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	416	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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