BDBM412185 (S)-6-(4-fluorobenzyl)-3- methyl-1-(2-((2R,5R)-5- methyl-2-(((R)-3- methylmorpholino)methyl) piperazin-1- yl)acetyl)indoline-3- carboxylic acid dihydrochloride::US10398702, Example B

SMILES C[C@@H]1CN(CC(=O)N2C[C@@](C)(C(O)=O)c3ccc(Cc4ccc(F)cc4)cc23)[C@@H](CN2CCOC[C@H]2C)CN1

InChI Key InChIKey=AEKQSNLWAKMPDL-NITIVINISA-N

Data  4 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 = 412185   

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

US Patent
LigandPNGBDBM412185((S)-6-(4-fluorobenzyl)-3- methyl-1-(2-((2R,5R)-5- ...)
Affinity DataIC50: >5.42E+4nMAssay 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
LigandPNGBDBM412185((S)-6-(4-fluorobenzyl)-3- methyl-1-(2-((2R,5R)-5- ...)
Affinity DataIC50:  218nMAssay 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
LigandPNGBDBM412185((S)-6-(4-fluorobenzyl)-3- methyl-1-(2-((2R,5R)-5- ...)
Affinity DataIC50:  3.93E+4nMAssay 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
LigandPNGBDBM412185((S)-6-(4-fluorobenzyl)-3- methyl-1-(2-((2R,5R)-5- ...)
Affinity DataIC50:  68nMAssay 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