BDBM243130 (S)-N-((S)-1-((3-cyclopropylquinolin-4- yl)methyl)-5-(3-methoxypropanoyl)-2- oxo-7-(trifluoromcthyl)-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(methylamino)propanamide::US10053431, 185

SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCOC)c2cc(ccc2N(Cc2c(cnc3ccccc23)C2CC2)C1=O)C(F)(F)F

InChI Key InChIKey=VALZCXFFXPZMRL-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 = 243130   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 243130BDBM243130((S)-N-((S)-1-((3-cyclopropylquinolin-4- yl)methyl)...)
Affinity DataIC50: 60.1nMpH: 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 243130BDBM243130((S)-N-((S)-1-((3-cyclopropylquinolin-4- yl)methyl)...)
Affinity DataIC50: 3.32E+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