BDBM69532 2-[4-Amino-6-(2-methoxy-phenylamino)-5-nitro-pyrimidin-2-ylamino]-ethanol::2-[[4-amino-5-nitro-6-(o-anisidino)pyrimidin-2-yl]amino]ethanol::2-[[4-amino-6-(2-methoxyanilino)-5-nitro-2-pyrimidinyl]amino]ethanol::2-[[4-amino-6-(2-methoxyanilino)-5-nitropyrimidin-2-yl]amino]ethanol::2-[[4-azanyl-6-[(2-methoxyphenyl)amino]-5-nitro-pyrimidin-2-yl]amino]ethanol::MLS000332747::SMR000436039::cid_3294594

SMILES COc1ccccc1Nc1nc(NCCO)nc(N)c1[N+]([O-])=O

InChI Key InChIKey=FWHDLLWTESTDBL-UHFFFAOYSA-N

Data  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 69532   

TargetAryl hydrocarbon receptor(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM69532(cid_3294594 | SMR000436039 | 2-[4-Amino-6-(2-metho...)
Affinity DataEC50:  1.20E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/31/2011
Entry Details
PCBioAssay
TargetNuclear receptor subfamily 1 group I member 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM69532(cid_3294594 | SMR000436039 | 2-[4-Amino-6-(2-metho...)
Affinity DataEC50:  1.78E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/31/2011
Entry Details
PCBioAssay
TargetGlycogen synthase kinase-3 beta(Human)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM69532(cid_3294594 | SMR000436039 | 2-[4-Amino-6-(2-metho...)
Affinity DataEC50:  8.76E+4nMAssay Description:Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/29/2011
Entry Details
PCBioAssay