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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)
LigandTarget/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
pHTemp
°C
Hexokinase type I


(Homo sapiens)
BDBM80826
PNG
((5-acetyloxy-9,10-dioxo-1,4,4a,9a-tetrahydroanthra...)
Show SMILES CC(=O)OC1C=CCc2c(O)c3c(OC(C)=O)cccc3c(O)c12
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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 3.41E+4n/an/an/an/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)
BDBM80826
PNG
((5-acetyloxy-9,10-dioxo-1,4,4a,9a-tetrahydroanthra...)
Show SMILES CC(=O)OC1C=CCc2c(O)c3c(OC(C)=O)cccc3c(O)c12
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/an/an/an/a 5.16E+4n/an/an/an/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