BDBM32048 MLS000042345::N-[(1S)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl]-1-tosyl-isonipecotamide::N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide::N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide::N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide::SMR000043979::cid_5389688

SMILES C[C@H](NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc2OCOc2c1

InChI Key InChIKey=PEEFUIRDRGRJSG-UHFFFAOYSA-N

Data  1 IC50  1 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 2 hits for monomerid = 32048   

LigandPNGBDBM32048(N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-...)
Affinity DataEC50:  7.70E+3nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/27/2011
Entry Details
PCBioAssay
TargetHeat shock protein HSP 90-alpha(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM32048(N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-...)
Affinity DataIC50: 1.19E+4nMpH: 7.4 T: 2°CAssay Description:A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/9/2009
Entry Details
PCBioAssay