BDBM34712 6,7-bis(oxidanyl)-4-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]chromen-2-one::6,7-dihydroxy-4-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]chromen-2-one::6,7-dihydroxy-4-[[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-1-benzopyran-2-one::6,7-dihydroxy-4-[[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]coumarin::MLS000565663::SMR000152830::cid_5689963

SMILES COc1cc(cc(OC)c1OC)-c1nnc(SCc2cc(=O)oc3cc(O)c(O)cc23)o1

InChI Key InChIKey=QXJLEZHDRYBRPB-UHFFFAOYSA-N

Data  5 IC50

  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 4 hits for monomerid = 34712   

TargetNuclear receptor subfamily 4 group A member 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 34712BDBM34712(cid_5689963 | 6,7-dihydroxy-4-[[5-(3,4,5-trimethox...)
Affinity DataIC50: 493nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2011
Entry Details
PCBioAssay
TargetTropomyosin alpha-1 chain(Pig)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 34712BDBM34712(cid_5689963 | 6,7-dihydroxy-4-[[5-(3,4,5-trimethox...)
Affinity DataIC50: 2.65E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 34712BDBM34712(cid_5689963 | 6,7-dihydroxy-4-[[5-(3,4,5-trimethox...)
Affinity DataIC50: 3.77E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetMannose-6-phosphate isomerase(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 34712BDBM34712(cid_5689963 | 6,7-dihydroxy-4-[[5-(3,4,5-trimethox...)
Affinity DataIC50: 5.00E+4nMpH: 7.4 T: 2°CAssay Description:The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2009
Entry Details
PCBioAssay