BDBM412187 4-(6-(4-fluorobenzyl)-3- methyl-1-(2-((2R,5R)-5- methyl-2-(((R)-3- methylmorpholino)methyl) piperazin-1- yl)acetyl)indoline-3- carboxamido)benzoic acid dihydrochloride::US10398702, Example D

SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C(=O)Nc3ccc(cc3)C(O)=O)c3ccc(Cc4ccc(F)cc4)cc23)[C@@H](CN2CCOC[C@H]2C)CN1

InChI Key InChIKey=GQRITZNZNCQQRA-UHFFFAOYSA-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 = 412187   

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

US Patent
LigandPNGBDBM412187(US10398702, Example D | 4-(6-(4-fluorobenzyl)-3- m...)
Affinity DataIC50: 4.27E+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
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In Depth
Date in BDB:
7/27/2020
Entry Details
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TargetE3 ubiquitin-protein ligase XIAP [241-356](Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM412187(US10398702, Example D | 4-(6-(4-fluorobenzyl)-3- m...)
Affinity DataIC50: 32nMAssay 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 InfoSimilars
In Depth
Date in BDB:
7/27/2020
Entry Details
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TargetBaculoviral IAP repeat-containing protein 2 [174-256](Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM412187(US10398702, Example D | 4-(6-(4-fluorobenzyl)-3- m...)
Affinity DataIC50: 4.76E+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 InfoSimilars
In Depth
Date in BDB:
7/27/2020
Entry Details
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TargetBaculoviral IAP repeat-containing protein 2 [260-351](Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM412187(US10398702, Example D | 4-(6-(4-fluorobenzyl)-3- m...)
Affinity DataIC50: 54nMAssay 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 InfoSimilars
In Depth
Date in BDB:
7/27/2020
Entry Details
Go to US Patent