BDBM50076636 (8aS,10aS)-2,8-Dimethoxy-9-oxo-5,10a-dihydro-8H,9H-xanthene-8a-carbonitrile::CHEMBL176366

SMILES: COC1C=CC[C@@H]2Oc3ccc(OC)cc3C(=O)[C@]12C#N

InChI Key: InChIKey=DQNGVFAURLRVGM-JGKCFBKVSA-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 = 50076636   

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
Cholinesterases (Homo sapiens (Human))	BDBM50076636 ((8aS,10aS)-2,8-Dimethoxy-9-oxo-5,10a-dihydro-8H,9H...) Show SMILES COC1C=CC[C@@H]2Oc3ccc(OC)cc3C(=O)[C@]12C#N |c:3| Show InChI InChI=1S/C16H15NO4/c1-19-10-6-7-12-11(8-10)15(18)16(9-17)13(20-2)4-3-5-14(16)21-12/h3-4,6-8,13-14H,5H2,1-2H3/t13?,14-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description In vitro inhibitory activity against Butyrylcholinesterase				Bioorg Med Chem Lett 9: 973-8 (1999) BindingDB Entry DOI: 10.7270/Q22V2F91
					More data for this Ligand-Target Pair