BDBM457080 (S)-6-((1-amino-1-oxopropan- 2-yl)amino)-2-(5-(4- (trifluoromethyl)phenyl)-3,4- dihydroisoquinolin-2(1H)- yl)pyrimidine-4-carboxamide::US10738026, Compound 22::US11401258, Compound 22

SMILES C[C@H](Nc1cc(nc(n1)N1CCc2c(C1)cccc2-c1ccc(cc1)C(F)(F)F)C(N)=O)C(N)=O

InChI Key InChIKey=RTJIPUIEDQRKRX-ZDUSSCGKSA-N

Data  2 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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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 = 457080   

TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Purdue Pharma

US Patent
LigandPNGBDBM457080((S)-6-((1-amino-1-oxopropan- 2-yl)amino)-2-(5-(4- ...)
Affinity DataKi:  317nMAssay Description:On the day of experimentation, cells are prepared by removing media and digesting with appropriate enzymes to suspend cells in external solution.Whol...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Purdue Pharma

US Patent
LigandPNGBDBM457080((S)-6-((1-amino-1-oxopropan- 2-yl)amino)-2-(5-(4- ...)
Affinity DataKi:  317nMAssay Description:Manual Electrophysiology: On the day of experimentation, the 35 mm dish is placed on the stage of an inverted microscope equipped with a perfusion sy...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Purdue Pharma

US Patent
LigandPNGBDBM457080((S)-6-((1-amino-1-oxopropan- 2-yl)amino)-2-(5-(4- ...)
Affinity DataIC50:  428nMAssay Description:Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Purdue Pharma

US Patent
LigandPNGBDBM457080((S)-6-((1-amino-1-oxopropan- 2-yl)amino)-2-(5-(4- ...)
Affinity DataIC50:  428nMAssay Description:The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS th...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent