BDBM50269180 CHEMBL497276::ungiminorine

SMILES: CO[C@@H]1[C@@H](O)[C@@H]2[C@@H]3N(CC=C3[C@H]1O)Cc1cc3OCOc3cc21

InChI Key: InChIKey=ZQLQBAUVRGDBJL-BIVLZKPYSA-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 = 50269180   

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))	BDBM50269180 (CHEMBL497276 | ungiminorine) Show SMILES CO[C@@H]1[C@@H](O)[C@@H]2[C@@H]3N(CC=C3[C@H]1O)Cc1cc3OCOc3cc21 |r,c:9| Show InChI InChI=1S/C17H19NO5/c1-21-17-15(19)9-2-3-18-6-8-4-11-12(23-7-22-11)5-10(8)13(14(9)18)16(17)20/h2,4-5,13-17,19-20H,3,6-7H2,1H3/t13-,14+,15+,16-,17-/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	8.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) by microplate assay				J Nat Prod 63: 803-6 (2000) BindingDB Entry DOI: 10.7270/Q29886RJ
					More data for this Ligand-Target Pair