BDBM243112 (S)-N-((S)-5-acetyl-7-cyano-1-((5-cyano- 2-cyclopropylnaphthalen-1-yl)methyl)-2- oxo-2,3,4,5-tetrahydro-1H- benzo[b][1,4]diazepin-3-yl)-2- (methylamino)propanamide hydrochloride::US10053431, 176

SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(C)=O)c2cc(ccc2N(Cc2c(ccc3c(cccc23)C#N)C2CC2)C1=O)C#N

InChI Key InChIKey=SRWSQAJBSMBUEO-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 = 243112   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 243112BDBM243112((S)-N-((S)-5-acetyl-7-cyano-1-((5-cyano- 2-cyclopr...)
Affinity DataIC50: 38.2nMpH: 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 243112BDBM243112((S)-N-((S)-5-acetyl-7-cyano-1-((5-cyano- 2-cyclopr...)
Affinity DataIC50: 2.56E+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