BDBM241698 (2S)-N-[(3S)-1-(4-acetylbenzoyl)-5-[2- (1,3-benzothiazol-2-ylamino)-2- oxoethyl]-4-oxo-2,3-dihydro-1,5- benzodiazepin-3-yl]-2- (methylamino)propanamide;2,2,2- trifluoroacctic acid::US10053431, 109

SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(CC(=O)Nc2nc3ccccc3s2)C1=O

InChI Key InChIKey=PJTRUGDAMFFNAG-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 = 241698   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 241698BDBM241698((2S)-N-[(3S)-1-(4-acetylbenzoyl)-5-[2- (1,3-benzot...)
Affinity DataIC50: 121nMpH: 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 241698BDBM241698((2S)-N-[(3S)-1-(4-acetylbenzoyl)-5-[2- (1,3-benzot...)
Affinity DataIC50: 4.23E+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