BDBM50204914 (1S,3S,4S,4a,9aS)-1,3,4,8-tetrahydroxy-4a,6-dimethyl-1,2,3,4,4a,9a-hexahydro-9H-xanthen-9-one::CHEMBL373944

SMILES: Cc1cc(O)c2C(=O)[C@H]3[C@@H](O)C[C@H](O)[C@H](O)[C@@]3(C)Oc2c1

InChI Key: InChIKey=UMAJXYGKDGKWLP-AOZIVVCUSA-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 = 50204914   

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
Quinone oxidoreductase (Mus musculus)	BDBM50204914 ((1S,3S,4S,4a,9aS)-1,3,4,8-tetrahydroxy-4a,6-dimeth...) Show SMILES Cc1cc(O)c2C(=O)[C@H]3[C@@H](O)C[C@H](O)[C@H](O)[C@@]3(C)Oc2c1 Show InChI InChI=1S/C15H18O6/c1-6-3-7(16)11-10(4-6)21-15(2)12(13(11)19)8(17)5-9(18)14(15)20/h3-4,8-9,12,14,16-18,20H,5H2,1-2H3/t8-,9-,12+,14-,15-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Induction of NAD(P)H:quinone reductase in mouse Hepa 1c1c7 cells				J Nat Prod 70: 353-60 (2007) Article DOI: 10.1021/np060505o BindingDB Entry DOI: 10.7270/Q2930STQ
					More data for this Ligand-Target Pair