Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50005767'   

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))	BDBM50005767 ((+/-)-(1-Phenyl-ethyl)-carbamic acid 1-ethyl-3a-me...) Show SMILES CCN1CC[C@]2(C)C1Cc1ccc(OC(=O)N[C@@H](C)c3ccccc3)cc21 Show InChI InChI=1S/C23H28N2O2/c1-4-25-13-12-23(3)20-15-19(11-10-18(20)14-21(23)25)27-22(26)24-16(2)17-8-6-5-7-9-17/h5-11,15-16,21H,4,12-14H2,1-3H3,(H,24,26)/t16-,21?,23-/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	1.33E+3	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 AchE (Acetylcholinesterase)				J Med Chem 35: 1429-34 (1992) BindingDB Entry DOI: 10.7270/Q2RN38GQ
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