BDBM44334 CHEMBL1622682::MLS-0391030.0001::cid_44182261::formic acid;(2S)-1-[(2S)-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-1-oxobutyl]-N-(6-methyl-5-quinolinyl)-2-pyrrolidinecarboxamide::formic acid;(2S)-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-(6-methyl-5-quinolyl)pyrrolidine-2-carboxamide::formic acid;(2S)-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-(6-methylquinolin-5-yl)pyrrolidine-2-carboxamide::methanoic acid;(2S)-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-(6-methylquinolin-5-yl)pyrrolidine-2-carboxamide

SMILES CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)Nc1c(C)ccc2ncccc12

InChI Key InChIKey=RJOFMOVKRIZIEQ-UHFFFAOYSA-N

Data  2 KI  2 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 4 hits for monomerid = 44334   

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

Curated by PubChem BioAssay
LigandPNGBDBM44334(CHEMBL1622682 | MLS-0391030.0001 | methanoic acid;...)
Affinity DataIC50: 1.34E+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 Depth
Date in BDB:
5/25/2011
Entry Details
PCBioAssay
TargetE3 ubiquitin-protein ligase XIAP(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM44334(CHEMBL1622682 | MLS-0391030.0001 | methanoic acid;...)
Affinity DataIC50: 1.44E+5nMAssay 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 Depth
Date in BDB:
5/25/2011
Entry Details
PCBioAssay
TargetE3 ubiquitin-protein ligase XIAP(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM44334(CHEMBL1622682 | MLS-0391030.0001 | methanoic acid;...)
Affinity DataKi:  7.20E+3nMAssay Description:Competitive inhibition of XIAP BIR2 domain by fluorescent polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM44334(CHEMBL1622682 | MLS-0391030.0001 | methanoic acid;...)
Affinity DataKi:  5.61E+4nMAssay Description:Competitive inhibition of XIAP BIR3 domain by fluorescent polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed