BDBM78702 (2S)-2-[4-[(1S)-1-amino-3-methyl-butyl]triazol-1-yl]-3-(1H-indol-2-yl)-1-piperazino-propan-1-one;hydrochloride::(2S)-2-[4-[(1S)-1-amino-3-methylbutyl]-1-triazolyl]-3-(1H-indol-2-yl)-1-(1-piperazinyl)-1-propanone;hydrochloride::(2S)-2-[4-[(1S)-1-amino-3-methylbutyl]triazol-1-yl]-3-(1H-indol-2-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride::(2S)-2-[4-[(1S)-1-azanyl-3-methyl-butyl]-1,2,3-triazol-1-yl]-3-(1H-indol-2-yl)-1-piperazin-1-yl-propan-1-one;hydrochloride::CD-MONO-LW-DP::MLS000560592::SMR000327450::cid_16129534

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

InChI Key InChIKey=IETYWVKZCFXVEW-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 78702   

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

Curated by PubChem BioAssay
LigandPNGBDBM78702(SMR000327450 | (2S)-2-[4-[(1S)-1-amino-3-methylbut...)
Affinity DataIC50: 1.40E+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
TargetUbiquitin-conjugating enzyme E2 N(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM78702(SMR000327450 | (2S)-2-[4-[(1S)-1-amino-3-methylbut...)
Affinity DataIC50: 1.58E+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
TargetBcl-2-related protein A1(Mouse)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM78702(SMR000327450 | (2S)-2-[4-[(1S)-1-amino-3-methylbut...)
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:
8/3/2011
Entry Details
PCBioAssay