BDBM47827 1,12,23-trihydroxy-1,6,12,17,23,28-hexazacyclotritriacontane-2,5,13,16,24,27-hexone::1,12,23-trihydroxy-1,6,12,17,23,28-hexazacyclotritriacontane-2,5,13,16,24,27-triquinone::1,12,23-tris(oxidanyl)-1,6,12,17,23,28-hexazacyclotritriacontane-2,5,13,16,24,27-hexone::MLS000876815::SMR000440583::cid_161532

SMILES ON1CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O

InChI Key InChIKey=NHKCCADZVLTPPO-UHFFFAOYSA-N

Data  1 IC50  5 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 47827   

LigandPNGBDBM47827(1,12,23-trihydroxy-1,6,12,17,23,28-hexazacyclotrit...)
Affinity DataEC50:  2.05E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2011
Entry Details
PCBioAssay
LigandPNGBDBM47827(1,12,23-trihydroxy-1,6,12,17,23,28-hexazacyclotrit...)
Affinity DataEC50:  2.06E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2011
Entry Details
PCBioAssay
LigandPNGBDBM47827(1,12,23-trihydroxy-1,6,12,17,23,28-hexazacyclotrit...)
Affinity DataEC50:  2.24E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2011
Entry Details
PCBioAssay
LigandPNGBDBM47827(1,12,23-trihydroxy-1,6,12,17,23,28-hexazacyclotrit...)
Affinity DataEC50:  2.36E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2011
Entry Details
PCBioAssay
LigandPNGBDBM47827(1,12,23-trihydroxy-1,6,12,17,23,28-hexazacyclotrit...)
Affinity DataEC50:  2.59E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2011
Entry Details
PCBioAssay
TargetRecBCD enzyme subunit RecD(Escherichia coli (strain K12))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM47827(1,12,23-trihydroxy-1,6,12,17,23,28-hexazacyclotrit...)
Affinity DataIC50: 1.19E+5nMAssay 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:
8/2/2011
Entry Details
PCBioAssay