BDBM80826 (5-acetyloxy-9,10-dioxo-1,4,4a,9a-tetrahydroanthracen-1-yl) acetate::MLS002706808::SMR001574207::[5-acetyloxy-9,10-bis(oxidanylidene)-1,4,4a,9a-tetrahydroanthracen-1-yl] ethanoate::acetic acid (5-acetoxy-9,10-diketo-1,4,4a,9a-tetrahydroanthracen-1-yl) ester::acetic acid (5-acetyloxy-9,10-dioxo-1,4,4a,9a-tetrahydroanthracen-1-yl) ester::cid_273436

SMILES: CC(=O)OC1C=CCc2c(O)c3c(OC(C)=O)cccc3c(O)c12

InChI Key: InChIKey=NIFIDSHKADQUCS-UHFFFAOYSA-N

Data: 2 EC50

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 = 80826   

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
Hexokinase type I (Homo sapiens (Human))	BDBM80826 ((5-acetyloxy-9,10-dioxo-1,4,4a,9a-tetrahydroanthra...) Show SMILES CC(=O)OC1C=CCc2c(O)c3c(OC(C)=O)cccc3c(O)c12 |c:5| Show InChI InChI=1S/C18H16O6/c1-9(19)23-13-7-3-5-11-15(13)17(21)12-6-4-8-14(24-10(2)20)16(12)18(11)22/h3-5,7-8,14,21-22H,6H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	3.41E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2765CSM
					More data for this Ligand-Target Pair
putative hexokinase HKDC1 (Homo sapiens (Human))	BDBM80826 ((5-acetyloxy-9,10-dioxo-1,4,4a,9a-tetrahydroanthra...) Show SMILES CC(=O)OC1C=CCc2c(O)c3c(OC(C)=O)cccc3c(O)c12 |c:5| Show InChI InChI=1S/C18H16O6/c1-9(19)23-13-7-3-5-11-15(13)17(21)12-6-4-8-14(24-10(2)20)16(12)18(11)22/h3-5,7-8,14,21-22H,6H2,1-2H3	GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	5.16E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2R78CQV
					More data for this Ligand-Target Pair