BDBM44327 CHEMBL1618815::MLS-0412169.0001::benzyl N-[(4S)-4-[[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]amino]-5-oxo-5-(2-phenylhydrazinyl)pentyl]carbamate;formic acid::cid_44182247::formic acid;N-[(4S)-4-[[(2S)-3-methyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-1-oxobutyl]amino]-5-oxo-5-(phenylhydrazo)pentyl]carbamic acid (phenylmethyl) ester::formic acid;N-[(4S)-5-keto-4-[[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]amino]-5-(N'-phenylhydrazino)pentyl]carbamic acid benzyl ester::methanoic acid;(phenylmethyl) N-[(4S)-4-[[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]amino]-5-oxidanylidene-5-(2-phenylhydrazinyl)pentyl]carbamate

SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)NNc1ccccc1

InChI Key InChIKey=NDPUNWNTDHXPHU-UHFFFAOYSA-N

Data  2 KI  2 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 4 hits for monomerid = 44327   

TargetE3 ubiquitin-protein ligase XIAP(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM44327(cid_44182247 | benzyl N-[(4S)-4-[[(2S)-3-methyl-2-...)
Affinity DataIC50: 3.70E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/25/2011
Entry Details
PCBioAssay
TargetE3 ubiquitin-protein ligase XIAP(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM44327(cid_44182247 | benzyl N-[(4S)-4-[[(2S)-3-methyl-2-...)
Affinity DataIC50: 2.52E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/25/2011
Entry Details
PCBioAssay
TargetE3 ubiquitin-protein ligase XIAP(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM44327(cid_44182247 | benzyl N-[(4S)-4-[[(2S)-3-methyl-2-...)
Affinity DataKi:  1.70E+3nMAssay Description:Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM44327(cid_44182247 | benzyl N-[(4S)-4-[[(2S)-3-methyl-2-...)
Affinity DataKi:  9.82E+3nMAssay Description:Competitive inhibition of XIAP-BIR3 domain (unknown origin) by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed