BDBM242677 (2S)-N-[(3S)-7-cyano-1-[[1-(2- cyanophenyl)indazol-3-yl]methyl]-5-(2- methylsulfonylacetyl)-2-oxo-3,4-dihydro- 1,5-benzodiazepin-3-yl]-2- (methylamino)propanamide;2,2,2- trifluoroacetic acid::US10053431, 161

SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2cc(ccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O)C#N

InChI Key InChIKey=YEBBKUXDMIGMKX-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 242677   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 242677BDBM242677((2S)-N-[(3S)-7-cyano-1-[[1-(2- cyanophenyl)indazol...)
Affinity DataIC50: 53.9nMpH: 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 242677BDBM242677((2S)-N-[(3S)-7-cyano-1-[[1-(2- cyanophenyl)indazol...)
Affinity DataIC50: 5.48E+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