BDBM44346 CHEMBL1617821::MLS-0412198.0001::benzyl N-[(4S)-4-[[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]amino]-5-(naphthalen-1-ylamino)-5-oxopentyl]carbamate;formic acid::cid_44229022::formic acid;N-[(4S)-4-[[(2S)-3-methyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-1-oxobutyl]amino]-5-(1-naphthalenylamino)-5-oxopentyl]carbamic acid (phenylmethyl) ester::formic acid;N-[(4S)-5-keto-4-[[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]amino]-5-(1-naphthylamino)pentyl]carbamic acid benzyl ester::methanoic acid;(phenylmethyl) N-[(4S)-4-[[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]amino]-5-(naphthalen-1-ylamino)-5-oxidanylidene-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)Nc1cccc2ccccc12

InChI Key InChIKey=ZYKUINLWYTZBHX-FAQZDJIUSA-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 = 44346   

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

Curated by ChEMBL
LigandPNGBDBM44346(CHEMBL1617821 | MLS-0412198.0001 | benzyl N-[(4S)-...)
Affinity DataKi:  1.94E+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
LigandPNGBDBM44346(CHEMBL1617821 | MLS-0412198.0001 | benzyl N-[(4S)-...)
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
LigandPNGBDBM44346(CHEMBL1617821 | MLS-0412198.0001 | benzyl N-[(4S)-...)
Affinity DataIC50:  4.10E+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