BDBM44350 MLS-0425206.0001::benzyl N-[(5S)-5-[[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]amino]-6-oxo-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)hexyl]carbamate;formic acid::cid_44229030::formic acid;N-[(5S)-5-[[(2S)-3-methyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-1-oxobutyl]amino]-6-oxo-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)hexyl]carbamic acid (phenylmethyl) ester::formic acid;N-[(5S)-6-keto-5-[[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]amino]-6-(tetralin-1-ylamino)hexyl]carbamic acid benzyl ester::methanoic acid;(phenylmethyl) N-[(5S)-5-[[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]amino]-6-oxidanylidene-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)hexyl]carbamate

SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)NC1CCCc2ccccc12

InChI Key InChIKey=OVEYZHGFBIYALJ-GXLHHWJISA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 44350   

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

Curated by PubChem BioAssay
LigandPNGBDBM44350(MLS-0425206.0001 | benzyl N-[(5S)-5-[[(2S)-3-methy...)
Affinity DataIC50:  1.90E+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 DepthDetails PCBioAssay
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM44350(MLS-0425206.0001 | benzyl N-[(5S)-5-[[(2S)-3-methy...)
Affinity DataIC50:  8.30E+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 DepthDetails PCBioAssay