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BDBM80800 1,7,7-trimethyl-2-oxidanylidene-N'-[(E)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-3-oxabicyclo[2.2.1]heptane-4-carbohydrazide::4,7,7-Trimethyl-3-oxo-2-oxa-bicyclo[2.2.1]heptane-1-carboxylic acid [1-(2,4-dihydroxy-phenyl)-meth-(E)-ylidene]-hydrazide::MLS000778291::N'-[(E)-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-2-keto-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptane-4-carbohydrazide::N'-[(E)-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carbohydrazide::N'-[(E)-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carbohydrazide::SMR000415085::cid_5930882

SMILES: CC1(C)C2(C)CCC1(OC2=O)C(=O)NN=Cc1ccc(O)cc1O

InChI Key: InChIKey=LTLOMSSHDSIDNZ-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 = 80800   
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)
BDBM80800
PNG
(1,7,7-trimethyl-2-oxidanylidene-N'-[(E)-(2-oxidany...)
Show SMILES CC1(C)C2(C)CCC1(OC2=O)C(=O)NN=Cc1ccc(O)cc1O
Show InChI InChI=1S/C17H20N2O5/c1-15(2)16(3)6-7-17(15,24-14(16)23)13(22)19-18-9-10-4-5-11(20)8-12(10)21/h4-5,8-9,20-21H,6-7H2,1-3H3,(H,19,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a>8.00E+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)
BDBM80800
PNG
(1,7,7-trimethyl-2-oxidanylidene-N'-[(E)-(2-oxidany...)
Show SMILES CC1(C)C2(C)CCC1(OC2=O)C(=O)NN=Cc1ccc(O)cc1O
Show InChI InChI=1S/C17H20N2O5/c1-15(2)16(3)6-7-17(15,24-14(16)23)13(22)19-18-9-10-4-5-11(20)8-12(10)21/h4-5,8-9,20-21H,6-7H2,1-3H3,(H,19,22)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a>8.00E+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