BDBM242627 (S)-N-((S)-1-((6-bromo-2-(2,2,2- trifluoroethoxy)naphthalen-1-yl)methyl)- 7-chloro-5-(4-fluorobenzoyl)-2-oxo- 2,3,4,5-tetrahydro-1H- benzo[b][1,4]diazepin-3-yl)-2- (methylamino)propanamide hydrochloride::US10053431, 136

SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(F)cc2)c2cc(Cl)ccc2N(Cc2c(OCC(F)(F)F)ccc3cc(Br)ccc23)C1=O

InChI Key InChIKey=OWKXLFXHVOCRPK-UHFFFAOYSA-N

Data  2 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 242627   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 242627BDBM242627((S)-N-((S)-1-((6-bromo-2-(2,2,2- trifluoroethoxy)n...)
Affinity DataIC50: 186nMpH: 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 242627BDBM242627((S)-N-((S)-1-((6-bromo-2-(2,2,2- trifluoroethoxy)n...)
Affinity DataIC50: 4.19E+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