BDBM79329 (5S)-1-[[(2S)-1-[(2S)-2-[(4R)-2-azanylidene-4-[(2R)-butan-2-yl]-3-[2-(3,4-dichlorophenyl)ethyl]imidazolidin-1-yl]pentyl]pyrrolidin-2-yl]methyl]-5-(phenylmethyl)-4,5-dihydroimidazol-2-amine::(5S)-1-[[(2S)-1-[(2S)-2-[(4R)-4-[(2R)-butan-2-yl]-3-[2-(3,4-dichlorophenyl)ethyl]-2-imino-1-imidazolidinyl]pentyl]-2-pyrrolidinyl]methyl]-5-(phenylmethyl)-4,5-dihydroimidazol-2-amine::(5S)-5-benzyl-1-[[(2S)-1-[(2S)-2-[(4R)-4-[(2R)-butan-2-yl]-3-[2-(3,4-dichlorophenyl)ethyl]-2-iminoimidazolidin-1-yl]pentyl]pyrrolidin-2-yl]methyl]-4,5-dihydroimidazol-2-amine::MLS002471774::SMR001395189::[(5S)-5-benzyl-1-[[(2S)-1-[(2S)-2-[(4R)-3-[2-(3,4-dichlorophenyl)ethyl]-2-imino-4-[(1R)-1-methylpropyl]imidazolidin-1-yl]pentyl]pyrrolidin-2-yl]methyl]-2-imidazolin-2-yl]amine::cid_44143145

SMILES CCC[C@@H](CN1CCC[C@H]1CN1[C@@H](Cc2ccccc2)CN=C1N)N1C[C@@H]([C@H](C)CC)N(CCc2ccc(Cl)c(Cl)c2)C1=N

InChI Key InChIKey=ZVEYVJHSYHNOSH-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 79329   

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

Curated by PubChem BioAssay
LigandPNGBDBM79329(cid_44143145 | (5S)-1-[[(2S)-1-[(2S)-2-[(4R)-2-aza...)
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