BDBM254001 US9481673, (S)-11

SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccnc(C)c2)c(n1)C#Cc1ccccc1

InChI Key InChIKey=RVXKLPGEBCDTMK-UHFFFAOYSA-N

Data  7 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 7 hits for monomerid = 254001   

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

US Patent
LigandPNGBDBM254001(US9481673, (S)-11)
Affinity DataIC50: 1nMT: 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
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Date in BDB:
10/9/2017
Entry Details
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TargetE3 ubiquitin-protein ligase XIAP [241-356](Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM254001(US9481673, (S)-11)
Affinity DataIC50: 13nMT: 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
In Depth
Date in BDB:
10/9/2017
Entry Details
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TargetCytochrome P450 2C19(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM254001(US9481673, (S)-11)
Affinity DataIC50: 1.40E+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
In Depth
Date in BDB:
10/9/2017
Entry Details
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TargetCytochrome P450 2C8(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM254001(US9481673, (S)-11)
Affinity DataIC50: 1.50E+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
In Depth
Date in BDB:
10/9/2017
Entry Details
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TargetCytochrome P450 2C9(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM254001(US9481673, (S)-11)
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
In Depth
Date in BDB:
10/9/2017
Entry Details
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TargetCytochrome P450 2D6(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM254001(US9481673, (S)-11)
Affinity DataIC50: 3.20E+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
In Depth
Date in BDB:
10/9/2017
Entry Details
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TargetCytochrome P450 3A4(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM254001(US9481673, (S)-11)
Affinity DataIC50: 4.60E+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
In Depth
Date in BDB:
10/9/2017
Entry Details
Go to US Patent