BDBM50244482 (4-(4-nitrobenzylidene)-2-(hydroxymethyl)-5-oxo-tetrahydrofuran-2-yl)methyl 4-(dimethylamino)benzoate::CHEMBL488675::rac-(E)-{2-(Hydroxymethyl)-4-[(4-nitrophenyl)methylene]-5-oxo-2-2,3-dihydrofuryl}methyl 4-(Dimethylamino)benzoate

SMILES CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)[N+]([O-])=O)C(=O)O1

InChI Key InChIKey=PDFSDYZOTUUNJY-UHFFFAOYSA-N

Data  5 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50244482   

TargetRas guanyl-releasing protein 3(Human)
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50244482(rac-(E)-{2-(Hydroxymethyl)-4-[(4-nitrophenyl)methy...)
Affinity DataKi:  3.80nMAssay Description:Binding affinity to RasGRP3More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetRas guanyl-releasing protein 3(Human)
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50244482(rac-(E)-{2-(Hydroxymethyl)-4-[(4-nitrophenyl)methy...)
Affinity DataKi:  3.80nMAssay Description:Displacement of [3H]PDBu from RasGRP3 expressed in cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetProtein kinase C alpha type(Mouse)
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50244482(rac-(E)-{2-(Hydroxymethyl)-4-[(4-nitrophenyl)methy...)
Affinity DataKi:  127nMAssay Description:Displacement of [3H]PDBu form mouse PKCalpha by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetProtein kinase C alpha type(Human)
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50244482(rac-(E)-{2-(Hydroxymethyl)-4-[(4-nitrophenyl)methy...)
Affinity DataKi:  343nMAssay Description:Displacement of [3H]PDBu from human recombinant PKCalpha expressed in Escherichia coli BL21-21-Gold (DE3)More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetProtein kinase C alpha type(Mouse)
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50244482(rac-(E)-{2-(Hydroxymethyl)-4-[(4-nitrophenyl)methy...)
Affinity DataKi:  362nMAssay Description:Displacement of [3H]PDBu form mouse PKCalpha by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed