BDBM253995 US9481673, (S)-5

SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cccnc2C)c(n1)C#Cc1ccc2c(C)nccc2c1

InChI Key InChIKey=PWGNJALKXKCHCQ-DEOSSOPVSA-N

Data  7 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 253995   

TargetBaculoviral IAP repeat-containing protein 2 [256-363](Homo sapiens (Human))
Boehringer Ingelheim International

US Patent
LigandPNGBDBM253995(US9481673, (S)-5)
Affinity DataIC50:  2nMT: 2°CAssay Description:BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% Triton X100) for on...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetE3 ubiquitin-protein ligase XIAP [241-356](Homo sapiens (Human))
Boehringer Ingelheim International

US Patent
LigandPNGBDBM253995(US9481673, (S)-5)
Affinity DataIC50:  677nMT: 2°CAssay Description:BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% Triton X100) for on...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 2C19(Homo sapiens (Human))
Boehringer Ingelheim International

US Patent
LigandPNGBDBM253995(US9481673, (S)-5)
Affinity DataIC50: >5.00E+4nMAssay Description:The final incubation volume contains TRIS buffer (0.1 M), MgCl2 (5 mM), a certain concentration of human liver microsomes dependent on the P450 isoen...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 3A4(Homo sapiens (Human))
Boehringer Ingelheim International

US Patent
LigandPNGBDBM253995(US9481673, (S)-5)
Affinity DataIC50: >5.00E+4nMAssay Description:The final incubation volume contains TRIS buffer (0.1 M), MgCl2 (5 mM), a certain concentration of human liver microsomes dependent on the P450 isoen...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 2C9(Homo sapiens (Human))
Boehringer Ingelheim International

US Patent
LigandPNGBDBM253995(US9481673, (S)-5)
Affinity DataIC50: >5.00E+4nMAssay Description:The final incubation volume contains TRIS buffer (0.1 M), MgCl2 (5 mM), a certain concentration of human liver microsomes dependent on the P450 isoen...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 2D6(Homo sapiens (Human))
Boehringer Ingelheim International

US Patent
LigandPNGBDBM253995(US9481673, (S)-5)
Affinity DataIC50: >5.00E+4nMAssay Description:The final incubation volume contains TRIS buffer (0.1 M), MgCl2 (5 mM), a certain concentration of human liver microsomes dependent on the P450 isoen...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 2C8(Homo sapiens (Human))
Boehringer Ingelheim International

US Patent
LigandPNGBDBM253995(US9481673, (S)-5)
Affinity DataIC50:  1.30E+3nMAssay Description:The final incubation volume contains TRIS buffer (0.1 M), MgCl2 (5 mM), a certain concentration of human liver microsomes dependent on the P450 isoen...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent