null

SMILES: COc1ccc2CN(CCCN3CCCCC3)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24

InChI Key: InChIKey=JIMPGPISVDHAIE-PTLVVNQVSA-N

PDB links: 1 PDB ID matches this monomer.

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 = 50303761   

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 (Homo sapiens (Human))	BDBM50303761 (((4aS,6R,8aS)-4a,5,9,10,11,12-hexahydro-3-methoxy-...) Show SMILES COc1ccc2CN(CCCN3CCCCC3)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:21| Show InChI InChI=1S/C24H34N2O3/c1-28-20-7-6-18-17-26(14-5-13-25-11-3-2-4-12-25)15-10-24-9-8-19(27)16-21(24)29-23(20)22(18)24/h6-9,19,21,27H,2-5,10-17H2,1H3/t19-,21-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Cristallografia Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				J Med Chem 53: 745-51 (2010) Article DOI: 10.1021/jm901296p BindingDB Entry DOI: 10.7270/Q2028SHK
					More data for this Ligand-Target Pair