BDBM242632 5-[(S)-5-[4-(9H-Fluoren-9-ylmethoxycarbonylamino)-butyryl]-3-((S)-2-methylamino-propionylamino)-2-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-ylmethyl]-6-methoxy-naphthalene-2-carboxylic acid methyl ester hydrochloride::US10053431, 48

SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C(=O)OC)C1=O

InChI Key InChIKey=QIROBYRCQIRCNB-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 = 242632   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 242632BDBM242632(5-[(S)-5-[4-(9H-Fluoren-9-ylmethoxycarbonylamino)-...)
Affinity DataIC50: 23nMpH: 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 242632BDBM242632(5-[(S)-5-[4-(9H-Fluoren-9-ylmethoxycarbonylamino)-...)
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