BDBM50076631 (8R,8aS,10aS)-8-Methoxy-9-oxo-5,10a-dihydro-8H,9H-xanthene-8a-carbonitrile::CHEMBL174705

SMILES: CO[C@@H]1C=CC[C@@H]2Oc3ccccc3C(=O)[C@]12C#N

InChI Key: InChIKey=PDIZBTLRMJMBKU-VNHYZAJKSA-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 = 50076631   

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
Cholinesterase (Homo sapiens (Human))	BDBM50076631 ((8R,8aS,10aS)-8-Methoxy-9-oxo-5,10a-dihydro-8H,9H-...) Show SMILES CO[C@@H]1C=CC[C@@H]2Oc3ccccc3C(=O)[C@]12C#N |c:3| Show InChI InChI=1S/C15H13NO3/c1-18-12-7-4-8-13-15(12,9-16)14(17)10-5-2-3-6-11(10)19-13/h2-7,12-13H,8H2,1H3/t12-,13+,15-/m1/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	>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