BDBM50263994 CHEMBL491009::Dibenzyl [2-(1,4-dioxo-1,4-dihydronaphthalen-2-yl)ethyl]malonate

SMILES: Oc1cc(C=CC(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)c(O)c2ccccc12

InChI Key: InChIKey=ZPCKWCBOMSFPIQ-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 50263994   

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
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM50263994 (CHEMBL491009 | Dibenzyl [2-(1,4-dioxo-1,4-dihydron...) Show SMILES Oc1cc(C=CC(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)c(O)c2ccccc12 |w:5.5| Show InChI InChI=1S/C29H24O6/c30-26-17-22(27(31)24-14-8-7-13-23(24)26)15-16-25(28(32)34-18-20-9-3-1-4-10-20)29(33)35-19-21-11-5-2-6-12-21/h1-17,25,30-31H,18-19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris Descartes Curated by ChEMBL					Assay Description Inhibition of human recombinant fused MBP-CDC25B3				Bioorg Med Chem 16: 9040-9 (2008) Article DOI: 10.1016/j.bmc.2008.08.009 BindingDB Entry DOI: 10.7270/Q2833SZB
					More data for this Ligand-Target Pair