BDBM243116 (2S)-N-[(3S)-1-(4-aminobenzoyl)-5-[[2- (2-fluoroethoxy)naphthalen-1-yl]methyl]- 4-oxo-2,3-dihydro-1,5-benzodiazepin-3- yl]-2- (methylamino)propanamide;hydrochloride::US10053431, 178

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

InChI Key InChIKey=FTBUPFGGJCLZQI-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 = 243116   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 243116BDBM243116((2S)-N-[(3S)-1-(4-aminobenzoyl)-5-[[2- (2-fluoroet...)
Affinity DataIC50: 14.2nMpH: 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 243116BDBM243116((2S)-N-[(3S)-1-(4-aminobenzoyl)-5-[[2- (2-fluoroet...)
Affinity DataIC50: 1.61E+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