BDBM78704 (2S)-2-[4-[(1S)-1-amino-2-methyl-butyl]triazol-1-yl]-3-(1H-indol-2-yl)-1-piperazino-propan-1-one;hydrochloride::(2S)-2-[4-[(1S)-1-amino-2-methylbutyl]-1-triazolyl]-3-(1H-indol-2-yl)-1-(1-piperazinyl)-1-propanone;hydrochloride::(2S)-2-[4-[(1S)-1-amino-2-methylbutyl]triazol-1-yl]-3-(1H-indol-2-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride::(2S)-2-[4-[(1S)-1-azanyl-2-methyl-butyl]-1,2,3-triazol-1-yl]-3-(1H-indol-2-yl)-1-piperazin-1-yl-propan-1-one;hydrochloride::CD-MONO-IW-DP::MLS000560549::SMR000327454::cid_16129559

SMILES CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCNCC1

InChI Key InChIKey=WKRPVPDBZBMSGA-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 = 78704   

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

Curated by PubChem BioAssay
LigandPNGBDBM78704(CD-MONO-IW-DP | (2S)-2-[4-[(1S)-1-azanyl-2-methyl-...)
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