BDBM242579 Cyclic-5-[(S)-5-(3-Amino-pentanoyl)-3-((S)-2- methylamino-propionylamino)-2-oxo-2,3,4,5- tetrahydro-benzo[b][1,4]diazepin-1-ylmethyl]- 6-methoxy-naphthalene-2-carboxylic amide hydrochloride::US10053431, 112

SMILES CN[C@@H](C)C(=O)N[C@H]1CN2c3ccccc3N(Cc3c(OC)ccc4cc(ccc34)C(=O)N(C)CCCC2=O)C1=O

InChI Key InChIKey=RTKCXJJVDINMFF-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 242579   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 242579BDBM242579(Cyclic-5-[(S)-5-(3-Amino-pentanoyl)-3-((S)-2- meth...)
Affinity DataIC50: 248nMpH: 7.5 T: 2°CAssay Description:Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2018
Entry Details
US Patent

TargetE3 ubiquitin-protein ligase XIAP [241-356](Human)
Hoffmann-La Roche

US Patent
LigandChemical structure of BindingDB Monomer ID 242579BDBM242579(Cyclic-5-[(S)-5-(3-Amino-pentanoyl)-3-((S)-2- meth...)
Affinity DataIC50: 4.12E+4nMpH: 7.5 T: 2°CAssay Description:Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2018
Entry Details
US Patent