BDBM242591 (2S)-N-[(3S)-1-[3-(1- hydroxyethyl)benzoyl]-5-[(2- methylnaphthalen-1-yl)methyl]-4-oxo- 2,3-dihydro-1,5-benzodiazepin-3-yl]-2- (methylamino)propanamide;hydrochloride::US10053431, 118::US10053431, 119

SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cccc(c2)C(C)O)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O

InChI Key InChIKey=HPCMPJMRVFYGCF-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 242591   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 242591BDBM242591((2S)-N-[(3S)-1-[3-(1- hydroxyethyl)benzoyl]-5-[(2-...)
Affinity DataIC50: 51.9nMpH: 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 [124-240](Human)
Hoffmann-La Roche

US Patent
LigandChemical structure of BindingDB Monomer ID 242591BDBM242591((2S)-N-[(3S)-1-[3-(1- hydroxyethyl)benzoyl]-5-[(2-...)
Affinity DataIC50: 57.5nMpH: 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 242591BDBM242591((2S)-N-[(3S)-1-[3-(1- hydroxyethyl)benzoyl]-5-[(2-...)
Affinity DataIC50: 2.17E+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

TargetE3 ubiquitin-protein ligase XIAP [241-356](Human)
Hoffmann-La Roche

US Patent
LigandChemical structure of BindingDB Monomer ID 242591BDBM242591((2S)-N-[(3S)-1-[3-(1- hydroxyethyl)benzoyl]-5-[(2-...)
Affinity DataIC50: 2.37E+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