Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50005760'   

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 (Homo sapiens (Human))	BDBM50005760 ((+/-)-Heptyl-carbamic acid 1-benzyl-3a-methyl-1,2,...) Show SMILES CCCCCCCNC(=O)Oc1ccc2CC3N(Cc4ccccc4)CC[C@@]3(C)c2c1 Show InChI InChI=1S/C27H36N2O2/c1-3-4-5-6-10-16-28-26(30)31-23-14-13-22-18-25-27(2,24(22)19-23)15-17-29(25)20-21-11-8-7-9-12-21/h7-9,11-14,19,25H,3-6,10,15-18,20H2,1-2H3,(H,28,30)/t25?,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	506	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Acetylcholinesterase				J Med Chem 35: 1429-34 (1992) BindingDB Entry DOI: 10.7270/Q2RN38GQ
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