BDBM50076635 (8aR,10aS)-8-Methoxy-6,9-dioxo-5,7,8,10a-tetrahydro-6H,9H-xanthene-8a-carbonitrile::CHEMBL174746

SMILES: COC1CC(=O)C[C@@H]2Oc3ccccc3C(=O)[C@]12C#N

InChI Key: InChIKey=WDFQLDOBLBWHRD-RGPPAHDHSA-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 = 50076635   

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))	BDBM50076635 ((8aR,10aS)-8-Methoxy-6,9-dioxo-5,7,8,10a-tetrahydr...) Show SMILES COC1CC(=O)C[C@@H]2Oc3ccccc3C(=O)[C@]12C#N Show InChI InChI=1S/C15H13NO4/c1-19-12-6-9(17)7-13-15(12,8-16)14(18)10-4-2-3-5-11(10)20-13/h2-5,12-13H,6-7H2,1H3/t12?,13-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>2.00E+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