Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50199550'   

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))	BDBM50199550 (CHEMBL245081 | N,N'-dimethyl-N,N'-bis(1-oxo-8,15-d...) Show SMILES CN(CCCCCCCCCCCCN(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:39,65,THB:36:35:23:25.26.32,53:54:45:56.59.57,49:48:45:56.59.57| Show InChI InChI=1S/C50H72N6O4/c1-35-27-37-29-43-41(19-21-45(57)51-43)49(31-35)39(37)17-15-25-55(49)47(59)33-53(3)23-13-11-9-7-5-6-8-10-12-14-24-54(4)34-48(60)56-26-16-18-40-38-28-36(2)32-50(40,56)42-20-22-46(58)52-44(42)30-38/h19-22,27-28,37-40H,5-18,23-26,29-34H2,1-4H3,(H,51,57)(H,52,58)/t37-,38-,39+,40+,49+,50+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53.4	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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