Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50199534'   

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))	BDBM50199534 (CHEMBL389582 | N,N'-bis(1-oxo-8,15-didehydrolycodi...) Show SMILES CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCN1CCN(CN2CCC[C@@H]3[C@@H]4Cc5[nH]c(=O)ccc5[C@]23CC(C)=C4)CC1 |c:50,t:1,TLB:0:1:14:4.5.11,THB:38:39:30:41.44.42,34:33:30:41.44.42| Show InChI InChI=1S/C39H52N6O2/c1-26-19-28-21-34-32(7-9-36(46)40-34)38(23-26)30(28)5-3-11-44(38)18-17-42-13-15-43(16-14-42)25-45-12-4-6-31-29-20-27(2)24-39(31,45)33-8-10-37(47)41-35(33)22-29/h7-10,19-20,28-31H,3-6,11-18,21-25H2,1-2H3,(H,40,46)(H,41,47)/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	407	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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