BindingDB PrimarySearch

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-GZTJUZNOSA-N

Data: 5 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50244482
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
RAS guanyl releasing protein 3 (Homo sapiens (Human))	BDBM50244482 ((4-(4-nitrobenzylidene)-2-(hydroxymethyl)-5-oxo-te...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute at Frederick Curated by ChEMBL					Assay Description Binding affinity to RasGRP3 (unknown origin)				J Med Chem 51: 5198-220 (2008) Article DOI: 10.1021/jm8001907 BindingDB Entry DOI: 10.7270/Q2G44Q4B
National Cancer Institute at Frederick Curated by ChEMBL					More data for this Ligand-Target Pair
RAS guanyl releasing protein 3 (Homo sapiens (Human))	BDBM50244482 ((4-(4-nitrobenzylidene)-2-(hydroxymethyl)-5-oxo-te...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute at Frederick Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from RasGRP3 (unknown origin) expressed in cells				J Med Chem 51: 5371-86 (2008) Article DOI: 10.1021/jm800380b BindingDB Entry DOI: 10.7270/Q21V5DSQ
National Cancer Institute at Frederick Curated by ChEMBL					More data for this Ligand-Target Pair
Protein kinase C (MOUSE)	BDBM50244482 ((4-(4-nitrobenzylidene)-2-(hydroxymethyl)-5-oxo-te...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	127	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute at Frederick Curated by ChEMBL					Assay Description Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting				J Med Chem 51: 5198-220 (2008) Article DOI: 10.1021/jm8001907 BindingDB Entry DOI: 10.7270/Q2G44Q4B
National Cancer Institute at Frederick Curated by ChEMBL					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50244482 ((4-(4-nitrobenzylidene)-2-(hydroxymethyl)-5-oxo-te...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	343	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute at Frederick Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from human recombinant PKCalpha expressed in Escherichia coli BL21-21-Gold (DE3)				J Med Chem 51: 5371-86 (2008) Article DOI: 10.1021/jm800380b BindingDB Entry DOI: 10.7270/Q21V5DSQ
National Cancer Institute at Frederick Curated by ChEMBL					More data for this Ligand-Target Pair
Protein kinase C (MOUSE)	BDBM50244482 ((4-(4-nitrobenzylidene)-2-(hydroxymethyl)-5-oxo-te...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	362	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute at Frederick Curated by ChEMBL					Assay Description Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting				J Med Chem 51: 5198-220 (2008) Article DOI: 10.1021/jm8001907 BindingDB Entry DOI: 10.7270/Q2G44Q4B
National Cancer Institute at Frederick Curated by ChEMBL					More data for this Ligand-Target Pair