BDBM44302 (2S)-5-(diaminomethylideneamino)-2-[[(2S)-3-methyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-1-oxobutyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide;formic acid::(2S)-5-(diaminomethylideneamino)-2-[[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide;formic acid::(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide;methanoic acid::MLS-0412065.0001::cid_44182177::formic acid;(2S)-5-guanidino-2-[[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]amino]-N-tetralin-1-yl-valeramide

SMILES [#6]-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-1-[#6]-[#6]-[#6]-c2ccccc-12

InChI Key InChIKey=HQUHVUNYKXDGJC-WXYFQQAYSA-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 = 44302   

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

Curated by PubChem BioAssay
LigandPNGBDBM44302((2S)-5-(diaminomethylideneamino)-2-[[(2S)-3-methyl...)
Affinity DataIC50:  1.30E+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
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM44302((2S)-5-(diaminomethylideneamino)-2-[[(2S)-3-methyl...)
Affinity DataIC50:  7.20E+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