BDBM44261 CHEMBL1618026::MLS-0390972.0001::cid_25241633::formic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-1-oxobutyl]-N-(pyridin-4-ylmethyl)-2-pyrrolidinecarboxamide::formic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-(4-pyridylmethyl)pyrrolidine-2-carboxamide::formic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide::methanoic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide

SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1ccncc1

InChI Key InChIKey=ORIKUNAARFWEHA-UHFFFAOYSA-N

Data  2 KI  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 4 hits for monomerid = 44261   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 44261BDBM44261(methanoic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(m...)
Affinity DataKi:  2.01E+4nMAssay 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)
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 44261BDBM44261(methanoic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(m...)
Affinity DataKi:  2.62E+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
TargetE3 ubiquitin-protein ligase XIAP(Human)
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 44261BDBM44261(methanoic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(m...)
Affinity DataIC50: 3.63E+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)
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 44261BDBM44261(methanoic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(m...)
Affinity DataIC50: 6.70E+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