BDBM242600 (S)—N—{(S)-1-(6-Bromo-2-methoxy-naphthalen-1-ylmethyl)-2-oxo-5-[4-(2,2,2-trifluoro-1-hydroxy-ethyl)-benzoyl]-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl}-2-methylamino-propionamide hydrochloride, mixture of diastereomers::US10053431, 32

SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(O)C(F)(F)F)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O

InChI Key InChIKey=HLVZIUNUMSNQFS-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 = 242600   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 242600BDBM242600((S)—N—{(S)-1-(6-Bromo-2-methoxy-naphthal...)
Affinity DataIC50: 25nMpH: 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 242600BDBM242600((S)—N—{(S)-1-(6-Bromo-2-methoxy-naphthal...)
Affinity DataIC50: 4.15E+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