BDBM79323 (5S)-1-[[(2S)-1-[(2S)-2-[(4R)-2-azanylidene-3-(3-cyclopentylpropyl)-4-(phenylmethyl)imidazolidin-1-yl]propyl]pyrrolidin-2-yl]methyl]-5-(phenylmethyl)-4,5-dihydroimidazol-2-amine::(5S)-1-[[(2S)-1-[(2S)-2-[(4R)-3-(3-cyclopentylpropyl)-2-imino-4-(phenylmethyl)-1-imidazolidinyl]propyl]-2-pyrrolidinyl]methyl]-5-(phenylmethyl)-4,5-dihydroimidazol-2-amine::(5S)-5-benzyl-1-[[(2S)-1-[(2S)-2-[(4R)-4-benzyl-3-(3-cyclopentylpropyl)-2-iminoimidazolidin-1-yl]propyl]pyrrolidin-2-yl]methyl]-4,5-dihydroimidazol-2-amine::MLS002471763::SMR001395178::[(5S)-5-benzyl-1-[[(2S)-1-[(2S)-2-[(4R)-4-benzyl-3-(3-cyclopentylpropyl)-2-imino-imidazolidin-1-yl]propyl]pyrrolidin-2-yl]methyl]-2-imidazolin-2-yl]amine::cid_44143136

SMILES C[C@@H](CN1CCC[C@H]1CN1[C@@H](Cc2ccccc2)CN=C1N)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=N

InChI Key InChIKey=LJMVLBUUPQXAJD-UHFFFAOYSA-N

Data  1 IC50

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

Found 1 hit for monomerid = 79323   

TargetUbiquitin-conjugating enzyme E2 N(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM79323((5S)-5-benzyl-1-[[(2S)-1-[(2S)-2-[(4R)-4-benzyl-3-...)
Affinity DataIC50: 2.00E+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:
8/2/2011
Entry Details
PCBioAssay