BDBM50244914 CHEMBL472001::rac-(E)-{2-(Hydroxymethyl)-4-[(3-nitrophenyl)methylene]-5-oxo-2-2,3-dihydrofuryl}methyl 3-(Dimethylamino)benzoate

SMILES: CN(C)c1cccc(c1)C(=O)OCC1(CO)C\C(=C/c2cccc(c2)[N+]([O-])=O)C(=O)O1

InChI Key: InChIKey=XXBDTXRLNOWZQH-RQZCQDPDSA-N

Data: 2 KI

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 2 hits for monomerid = 50244914   

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
RAS guanyl releasing protein 3 (Homo sapiens (Human))	BDBM50244914 (CHEMBL472001 | rac-(E)-{2-(Hydroxymethyl)-4-[(3-ni...) Show SMILES CN(C)c1cccc(c1)C(=O)OCC1(CO)C\C(=C/c2cccc(c2)[N+]([O-])=O)C(=O)O1 Show InChI InChI=1S/C22H22N2O7/c1-23(2)18-7-4-6-16(11-18)20(26)30-14-22(13-25)12-17(21(27)31-22)9-15-5-3-8-19(10-15)24(28)29/h3-11,25H,12-14H2,1-2H3/b17-9+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	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
					More data for this Ligand-Target Pair
Protein kinase C (MOUSE)	BDBM50244914 (CHEMBL472001 | rac-(E)-{2-(Hydroxymethyl)-4-[(3-ni...) Show SMILES CN(C)c1cccc(c1)C(=O)OCC1(CO)C\C(=C/c2cccc(c2)[N+]([O-])=O)C(=O)O1 Show InChI InChI=1S/C22H22N2O7/c1-23(2)18-7-4-6-16(11-18)20(26)30-14-22(13-25)12-17(21(27)31-22)9-15-5-3-8-19(10-15)24(28)29/h3-11,25H,12-14H2,1-2H3/b17-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	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
					More data for this Ligand-Target Pair