Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50199540'   

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))	BDBM50199540 (CHEMBL395043 | N,N-bis(1-oxo-8,15-didehydrolycodin...) Show SMILES CCCN(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:26,51,TLB:23:22:10:12.13.19,THB:35:34:31:42.45.43,39:40:31:42.45.43| Show InChI InChI=1S/C39H53N5O2/c1-4-13-42(16-18-43-14-5-7-30-28-20-26(2)24-38(30,43)32-9-11-36(45)40-34(32)22-28)17-19-44-15-6-8-31-29-21-27(3)25-39(31,44)33-10-12-37(46)41-35(33)23-29/h9-12,20-21,28-31H,4-8,13-19,22-25H2,1-3H3,(H,40,45)(H,41,46)/t28-,29-,30+,31+,38+,39+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+3	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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