BDBM44301 (2S)-N-[(1S)-1-(anilinocarbamoyl)-4-guanidino-butyl]-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butyramide;formic acid::(2S)-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(2-phenylhydrazinyl)pentan-2-yl]-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanamide;formic acid::(2S)-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(phenylhydrazo)pentan-2-yl]-3-methyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]butanamide;formic acid::(2S)-N-[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-(2-phenylhydrazinyl)pentan-2-yl]-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanamide;methanoic acid::MLS-0412063.0001::cid_44182175

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]-[#7]-c1ccccc1

InChI Key InChIKey=HMZHIEJPQDFARH-XIRDDKMYSA-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 = 44301   

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

Curated by PubChem BioAssay
LigandPNGBDBM44301((2S)-N-[(1S)-1-(anilinocarbamoyl)-4-guanidino-buty...)
Affinity DataIC50:  5.42E+4nMAssay 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
LigandPNGBDBM44301((2S)-N-[(1S)-1-(anilinocarbamoyl)-4-guanidino-buty...)
Affinity DataIC50:  7.10E+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