BDBM253989 US9481673, 94

SMILES CNC(C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccncc2)c(n1)C#Cc1ccc2N(C)C(=O)COc2c1

InChI Key InChIKey=IRFHAQMRJGFTHC-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 253989   

TargetCytochrome P450 2D6(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM253989(US9481673, 94)
Affinity DataIC50: 3.30E+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
In Depth
Date in BDB:
10/9/2017
Entry Details
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TargetCytochrome P450 3A4(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM253989(US9481673, 94)
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 2C19(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM253989(US9481673, 94)
Affinity DataIC50: 2.90E+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
In Depth
Date in BDB:
10/9/2017
Entry Details
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TargetCytochrome P450 2C8(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM253989(US9481673, 94)
Affinity DataIC50: 4.90E+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
In Depth
Date in BDB:
10/9/2017
Entry Details
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TargetCytochrome P450 2C9(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM253989(US9481673, 94)
Affinity DataIC50: 700nMAssay 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