BDBM242668 (2S)-2-(methylamino)-N-[(3S)-5-[(2-methyl-1-naphthyl)methyl]-1-(4-nitrobenzoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]propanamide hydrochloride::US10053431, 66

SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)[N+]([O-])=O)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O

InChI Key InChIKey=HAOHFLWHICJWHC-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 = 242668   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 242668BDBM242668((2S)-2-(methylamino)-N-[(3S)-5-[(2-methyl-1-naphth...)
Affinity DataIC50: 38nMpH: 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 242668BDBM242668((2S)-2-(methylamino)-N-[(3S)-5-[(2-methyl-1-naphth...)
Affinity DataIC50: 4.83E+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