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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Quinone oxidoreductase' and Ligand = 'BDBM50204915'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Quinone oxidoreductase


(Mus musculus)
BDBM50204915
PNG
((1S,3S,4S,4aS,9aS)-1,4,8-trihydroxy-3,4a-dimethyl-...)
Show SMILES C[C@H]1C[C@H](O)[C@@H]2C(=O)c3c(O)cccc3O[C@]2(C)[C@H]1O
Show InChI InChI=1S/C15H18O5/c1-7-6-9(17)12-13(18)11-8(16)4-3-5-10(11)20-15(12,2)14(7)19/h3-5,7,9,12,14,16-17,19H,6H2,1-2H3/t7-,9-,12+,14-,15-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEBI
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/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