BDBM50201172 (4aS,5S,7S,8aS)-7-methyl-5-(1-oxy-3,4,5,6-tetrahydro-pyridin-2-ylmethyl)-decahydro-quinoline::CHEMBL395790

SMILES: C[C@H]1C[C@@H](CC2=[N+]([O-])CCCC2)[C@@H]2CCCN[C@H]2C1

InChI Key: InChIKey=LOKZTKJBSRMBJH-SDADXPQNSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50201172   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetylcholinesterase (Bos taurus (bovine))	BDBM50201172 ((4aS,5S,7S,8aS)-7-methyl-5-(1-oxy-3,4,5,6-tetrahyd...) Show SMILES C[C@H]1C[C@@H](CC2=[N+]([O-])CCCC2)[C@@H]2CCCN[C@H]2C1 |c:5| Show InChI InChI=1S/C16H28N2O/c1-12-9-13(11-14-5-2-3-8-18(14)19)15-6-4-7-17-16(15)10-12/h12-13,15-17H,2-11H2,1H3/t12-,13-,15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Hoshi University Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte acetylcholinesterase				Bioorg Med Chem 15: 1703-7 (2007) Article DOI: 10.1016/j.bmc.2006.12.005 BindingDB Entry DOI: 10.7270/Q2X929XP
					More data for this Ligand-Target Pair