Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50199542'   

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))	BDBM50199542 (CHEMBL242068 | N,N'-bis(1-oxo-8,15-didehydrolycodi...) Show SMILES CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCCN1CCN(CCCN2CCC[C@@H]3[C@@H]4Cc5[nH]c(=O)ccc5[C@]23CC(C)=C4)CC1 |c:53,t:1,TLB:0:1:14:4.5.11,THB:41:42:33:44.47.45,37:36:33:44.47.45| Show InChI InChI=1S/C42H58N6O2/c1-29-23-31-25-37-35(9-11-39(49)43-37)41(27-29)33(31)7-3-15-47(41)17-5-13-45-19-21-46(22-20-45)14-6-18-48-16-4-8-34-32-24-30(2)28-42(34,48)36-10-12-40(50)44-38(36)26-32/h9-12,23-24,31-34H,3-8,13-22,25-28H2,1-2H3,(H,43,49)(H,44,50)/t31-,32-,33+,34+,41+,42+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	202	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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