BDBM301463 BDBM301464::US10131670, Example 87::{1-[1-(2-Fluorophenyl)-1H-pyrazol-4-yl]propyl}-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, enantiomer 1 and 2

SMILES CCC(c1cnn(c1)-c1ccccc1F)n1nc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnc12

InChI Key InChIKey=AFZUNERWCCUFTA-UHFFFAOYSA-N

Data  4 EC50

  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 = 301463   

TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
Cystic Fibrosis Foundation Therapeutics

US Patent
LigandPNGBDBM301463(BDBM301464 | US10131670, Example 87 | {1-[1-(2-Flu...)
Affinity DataEC50:  1.53nMAssay Description:Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
Cystic Fibrosis Foundation Therapeutics

US Patent
LigandPNGBDBM301463(BDBM301464 | US10131670, Example 87 | {1-[1-(2-Flu...)
Affinity DataEC50:  78.8nMAssay Description:Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
Cystic Fibrosis Foundation Therapeutics

US Patent
LigandPNGBDBM301463(BDBM301464 | US10131670, Example 87 | {1-[1-(2-Flu...)
Affinity DataEC50:  31nMAssay Description:Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
Cystic Fibrosis Foundation Therapeutics

US Patent
LigandPNGBDBM301463(BDBM301464 | US10131670, Example 87 | {1-[1-(2-Flu...)
Affinity DataEC50:  4.76nMAssay Description:Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent