BDBM80083 3'-ketospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,5,5',6'-tetracarboxylic acid tetramethyl ester::3'-oxospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,5,5',6'-tetracarboxylic acid tetramethyl ester::MLS002702363::SMR001565925::cid_389753::tetramethyl 3'-oxidanylidenespiro[1,3-dithiole-2,7'-[1,2]dithiolo[4,3-b]thiopyran]-4,5,5',6'-tetracarboxylate::tetramethyl 3'-oxospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,5,5',6'-tetracarboxylate

SMILES COC(=O)C1=C(SC2(S1)c1ssc(=O)c1SC(C(=O)OC)=C2C(=O)OC)C(=O)OC

InChI Key InChIKey=HAODYRSOCXZKBJ-UHFFFAOYSA-N

Data  4 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 80083   

TargetBeta-galactosidase(Escherichia coli)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80083(MLS002702363 | SMR001565925 | 3'-oxospiro[1,3-dith...)
Affinity DataIC50: 6.66E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay
TargetHexokinase HKDC1 [W721R](Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80083(MLS002702363 | SMR001565925 | 3'-oxospiro[1,3-dith...)
Affinity DataEC50:  3.31E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay
TargetC-C chemokine receptor type 6(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80083(MLS002702363 | SMR001565925 | 3'-oxospiro[1,3-dith...)
Affinity DataIC50: 2.85E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay
TargetHexokinase-1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80083(MLS002702363 | SMR001565925 | 3'-oxospiro[1,3-dith...)
Affinity DataEC50:  4.96E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/4/2011
Entry Details
PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM80083(MLS002702363 | SMR001565925 | 3'-oxospiro[1,3-dith...)
Affinity DataIC50: 1.41E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2013
Entry Details
PCBioAssay
TargetReceptor-interacting serine/threonine-protein kinase 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM80083(MLS002702363 | SMR001565925 | 3'-oxospiro[1,3-dith...)
Affinity DataIC50: 727nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2013
Entry Details
PCBioAssay