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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Quinone oxidoreductase' AND taxid = 10090   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Quinone oxidoreductase


(Mus musculus)
BDBM50204912
PNG
((1S,3S,4S,4aS,9aS)-1,4,8-trihydroxy-6-methoxy-3,4a...)
Show SMILES COc1cc(O)c2C(=O)[C@H]3[C@@H](O)C[C@H](C)[C@H](O)[C@@]3(C)Oc2c1
Show InChI InChI=1S/C16H20O6/c1-7-4-10(18)13-14(19)12-9(17)5-8(21-3)6-11(12)22-16(13,2)15(7)20/h5-7,10,13,15,17-18,20H,4H2,1-3H3/t7-,10-,13+,15-,16-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
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


Citation and Details
More data for this
Ligand-Target Pair
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
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
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


Citation and Details
More data for this
Ligand-Target Pair
Quinone oxidoreductase


(Mus musculus)
BDBM50204916
PNG
(8-hydroxy-3-methyl-9-oxo-9H-xanthene-1-carboxylic ...)
Show SMILES Cc1cc(C(O)=O)c2c(c1)oc1cccc(O)c1c2=O
Show InChI InChI=1S/C15H10O5/c1-7-5-8(15(18)19)12-11(6-7)20-10-4-2-3-9(16)13(10)14(12)17/h2-6,16H,1H3,(H,18,19)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
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


Citation and Details
More data for this
Ligand-Target Pair
Quinone oxidoreductase


(Mus musculus)
BDBM50204913
PNG
(2-(2,6-dihydroxybenzoyl)-3-hydroxy-5-methylbenzoic...)
Show SMILES Cc1cc(O)c(C(=O)c2c(O)cccc2O)c(c1)C(O)=O
Show InChI InChI=1S/C15H12O6/c1-7-5-8(15(20)21)12(11(18)6-7)14(19)13-9(16)3-2-4-10(13)17/h2-6,16-18H,1H3,(H,20,21)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
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


Citation and Details
More data for this
Ligand-Target Pair
Quinone oxidoreductase


(Mus musculus)
BDBM50204914
PNG
((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

AffyNet 
Article
PubMed
n/an/a>4.00E+5n/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


Citation and Details
More data for this
Ligand-Target Pair