BDBM44359 (2S)-2-[[(2S)-2-amino-1-oxobutyl]amino]-3-methyl-N-[(2S)-1-(1-naphthalenylamino)-1-oxopropan-2-yl]butanamide;formic acid::(2S)-2-[[(2S)-2-aminobutanoyl]amino]-3-methyl-N-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]butanamide;formic acid::(2S)-2-[[(2S)-2-aminobutanoyl]amino]-N-[(1S)-2-keto-1-methyl-2-(1-naphthylamino)ethyl]-3-methyl-butyramide;formic acid::(2S)-2-[[(2S)-2-azanylbutanoyl]amino]-3-methyl-N-[(2S)-1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl]butanamide;methanoic acid::CHEMBL1624542::MLS-0425614.0001::cid_44229048

SMILES CC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)Nc1cccc2ccccc12

InChI Key InChIKey=JZDVCAVSUXJVOM-FNHZYXHNSA-N

Data  2 KI  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 3 hits for monomerid = 44359   

TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM44359((2S)-2-[[(2S)-2-amino-1-oxobutyl]amino]-3-methyl-N...)
Affinity DataKi:  3.78E+3nMAssay Description:Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM44359((2S)-2-[[(2S)-2-amino-1-oxobutyl]amino]-3-methyl-N...)
Affinity DataKi: >3.90E+4nMAssay Description:Competitive inhibition of XIAP-BIR3 domain (unknown origin) by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM44359((2S)-2-[[(2S)-2-amino-1-oxobutyl]amino]-3-methyl-N...)
Affinity DataIC50:  7.40E+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