BDBM50078355 CHEMBL3414726

SMILES [H][C@@]12CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C)[C@@]([H])(C1)C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@]3([H])CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C)[C@@]([H])(C3)C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(O)=O)cc1)C(O)=O

InChI Key InChIKey=JSGZGDDJOKLCEY-PFFMIVSTSA-N

Data  2 IC50  1 EC50

  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 3 hits for monomerid = 50078355   

TargetBaculoviral IAP repeat-containing protein 3(Homo sapiens (Human))
Ensemble Therapeutics

Curated by ChEMBL
LigandPNGBDBM50078355(CHEMBL3414726)
Affinity DataIC50:  17nMAssay Description:Inhibition of cIAP1 BIR3 (154 to 352 residues) (unknown origin) by fluoresceinated dimeric SMAC peptide based fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBaculoviral IAP repeat-containing protein 2(Homo sapiens (Human))
Ensemble Therapeutics

Curated by ChEMBL
LigandPNGBDBM50078355(CHEMBL3414726)
Affinity DataEC50:  59nMAssay Description:Inhibition of XIAP BIR2-3 (124 to 356 residues) C202A/C213G mutant (unknown origin) in human THP1 cells using fluoresceinated caspase-3 substrate by ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBaculoviral IAP repeat-containing protein 3(Homo sapiens (Human))
Ensemble Therapeutics

Curated by ChEMBL
LigandPNGBDBM50078355(CHEMBL3414726)
Affinity DataIC50:  40nMAssay Description:Inhibition of XIAP BIR3 (241 to 356 residues) (unknown origin) incubated for 60 mins by fluoresceinated modified SMAC peptide based fluorescence pola...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed