BDBM412176 US10398702, Example 15::tert-Butyl (2R,5S)-4-[2-[(3S)-3-[[(3S)-2-[(2S)-2-[[(2S)-2-[tert-butoxycarbonyl(methyl)amino]propanoyl]amino]-2-tetrahydropyran-4-yl-acetyl]-3-[(2,6-difluorophenyl)carbamoyl]isoindolin-5-yl]carbamoyl]-6-[(4-fluorophenyl)methyl]-3-methyl-indolin-1-yl]-2-oxo-ethyl]-2-methyl-5-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazine-1-carboxylate

SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1Cc2ccc(NC(=O)[C@]3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc34)cc2[C@H]1C(=O)Nc1c(F)cccc1F

InChI Key InChIKey=KKDIBMNGHOWFJB-RABBDSCGSA-N

Data  4 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 = 412176   

TargetE3 ubiquitin-protein ligase XIAP [124-240](Homo sapiens (Human))
Hoffmann-La Roche

US Patent
LigandPNGBDBM412176(US10398702, Example 15 | tert-Butyl (2R,5S)-4-[2-[...)
Affinity DataIC50:  3.80nMAssay Description:For the Bir2 assay, 3.5 nanomolar of 6× Histidine-tagged BIR2 domain (6× Histidine disclosed as SEQ ID NO: 25), corresponding to amino acids 124-240 ...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails US Patent
TargetBaculoviral IAP repeat-containing protein 2 [260-351](Homo sapiens (Human))
Hoffmann-La Roche

US Patent
LigandPNGBDBM412176(US10398702, Example 15 | tert-Butyl (2R,5S)-4-[2-[...)
Affinity DataIC50:  2nMAssay Description:For the Bir3 assay, 25.5 nanomolar BIR3 domain, corresponding to amino acids 260-352 of cIAP, was mixed with 41 nM of the peptide AVPIAQKSEK-(ε-...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails US Patent
TargetBaculoviral IAP repeat-containing protein 2 [174-256](Homo sapiens (Human))
Hoffmann-La Roche

US Patent
LigandPNGBDBM412176(US10398702, Example 15 | tert-Butyl (2R,5S)-4-[2-[...)
Affinity DataIC50:  177nMAssay Description:For the Bir2 assay, 12 nanomolar of 6× Histidine-tagged BIR2 domain (6× Histidine38 disclosed as SEQ ID NO: 25), corresponding to amino acids 174-256...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails US Patent
TargetE3 ubiquitin-protein ligase XIAP [241-356](Homo sapiens (Human))
Hoffmann-La Roche

US Patent
LigandPNGBDBM412176(US10398702, Example 15 | tert-Butyl (2R,5S)-4-[2-[...)
Affinity DataIC50:  9nMAssay Description:For the Bir3 assay, 13.3 nanomolar BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 25.2 nM of the peptide AVPIAQKSEK-(ε...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails US Patent