BDBM243108 (S)-N-((S)-7-cyano-1-((1-(2- cyanophenyl)-1H-indazol-3-yl)methyl)-5- isonicotinoyl-2-oxo-2,3,4,5-tetrahydro- 1H-benzo[b][1,4]diazepin-3-yl)-2- (methylamino)propanamide dihydrochloride::US10053431, 174

SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccncc2)c2cc(ccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O)C#N

InChI Key InChIKey=QZIVNKNQWYOBJD-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 243108   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 243108BDBM243108((S)-N-((S)-7-cyano-1-((1-(2- cyanophenyl)-1H-indaz...)
Affinity DataIC50: 22.4nMpH: 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

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

US Patent
LigandChemical structure of BindingDB Monomer ID 243108BDBM243108((S)-N-((S)-7-cyano-1-((1-(2- cyanophenyl)-1H-indaz...)
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