BDBM44299 MLS-0391062.0001::[[amino-[(4S)-4-[[(2S)-3-methyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-1-oxobutyl]amino]-5-oxo-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentyl]iminomethyl]amino]-hydroxy-oxoammonium;formic acid::cid_44182169::formic acid;hydroxy-[[N'-[(4S)-4-[[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]amino]-5-oxo-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentyl]carbamimidoyl]amino]-oxoazanium::formic acid;hydroxy-keto-[[N'-[(4S)-5-keto-4-[[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]amino]-5-(tetralin-1-ylamino)pentyl]amidino]amino]ammonium::methanoic acid;[[N'-[(4S)-4-[[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]amino]-5-oxidanylidene-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentyl]carbamimidoyl]amino]-oxidanyl-oxidanylidene-azanium

SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N[N+](O)=O)C(=O)NC1CCCc2ccccc12

InChI Key InChIKey=VEJHDMFCFDISMJ-UHFFFAOYSA-O

Data  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 2 hits for monomerid = 44299   

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

Curated by PubChem BioAssay
LigandPNGBDBM44299(cid_44182169 | methanoic acid;[[N'-[(4S)-4-[[(2S)-...)
Affinity DataIC50: 4.00E+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
LigandPNGBDBM44299(cid_44182169 | methanoic acid;[[N'-[(4S)-4-[[(2S)-...)
Affinity DataIC50: 880nMAssay 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