Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50199551'   

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))	BDBM50199551 (CHEMBL395282 | N,N'-dimethyl-N,N'-bis(1-oxo-8,15-d...) Show SMILES CN(CCCCCCCCN(C)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:35,61,THB:32:31:19:21.22.28,54:53:41:43.44.50| Show InChI InChI=1S/C46H64N6O4/c1-31-23-33-25-39-37(15-17-41(53)47-39)45(27-31)35(33)13-11-21-51(45)43(55)29-49(3)19-9-7-5-6-8-10-20-50(4)30-44(56)52-22-12-14-36-34-24-32(2)28-46(36,52)38-16-18-42(54)48-40(38)26-34/h15-18,23-24,33-36H,5-14,19-22,25-30H2,1-4H3,(H,47,53)(H,48,54)/t33-,34-,35+,36+,45+,46+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50.8	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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