BDBM50316637 (2S)-2-(methylamino)-N-[(2S,5S,11S,20S,23S,29S)-29-[(2S)-2-(methylamino)propanamido]-4,10,22,28-tetraoxo-2,20-diphenyl-3,9,16,17,18,21,27,34,35,36-decaazapentacyclo[32.2.1.1^{16,19}.0^{5,9}.0^{23,27}]octatriaconta-1(37),17,19(38),35-tetraen-11-yl]propanamide::CHEMBL1095993

SMILES CN[C@@H](C)C(=O)N[C@H]1CCCCn2cc(nn2)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCn2cc(nn2)[C@@H](NC(=O)[C@@H]2CCCN2C1=O)c1ccccc1)NC(=O)[C@H](C)NC)c1ccccc1

InChI Key InChIKey=LOBCZCMHPSMTKA-UHFFFAOYSA-N

Data  2 KI  3 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 5 hits for monomerid = 50316637   

TargetE3 ubiquitin-protein ligase XIAP(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50316637((2S)-2-(methylamino)-N-[(2S,5S,11S,20S,23S,29S)-29...)
Affinity DataIC50: 0.430nMAssay Description:Binding affinity to XIAP linker BIR2-BIR3 domain site 1 by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2010
Entry Details Article
PubMed
TargetBaculoviral IAP repeat-containing protein 2(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50316637((2S)-2-(methylamino)-N-[(2S,5S,11S,20S,23S,29S)-29...)
Affinity DataKi:  11nMAssay Description:Binding affinity to cIAP1 BIR3 domain by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2010
Entry Details Article
PubMed
TargetBaculoviral IAP repeat-containing protein 3(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50316637((2S)-2-(methylamino)-N-[(2S,5S,11S,20S,23S,29S)-29...)
Affinity DataKi:  24nMAssay Description:Binding affinity to cIAP2 BIR3 domain by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2010
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50316637((2S)-2-(methylamino)-N-[(2S,5S,11S,20S,23S,29S)-29...)
Affinity DataIC50: 28nMAssay Description:Binding affinity to XIAP linker BIR2-BIR3 domain site 2 by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2010
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50316637((2S)-2-(methylamino)-N-[(2S,5S,11S,20S,23S,29S)-29...)
Affinity DataIC50: 3.20E+3nMAssay Description:Binding affinity to XIAP linker BIR2 domain by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2010
Entry Details Article
PubMed