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Patent code US10131670

Compile Data Set for Download or QSAR
Found 108 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301418
PNG
(4-amino-7-{1-[1-(2-fluorophenyl)-1H-1,2,3-triazol-...)
Show SMILES CC(c1cn(nn1)-c1ccccc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C22H14F4N10/c1-11(15-9-35(34-33-15)16-5-3-2-4-14(16)23)18-13(6-27)17(19-20(28)31-10-32-36(18)19)12-7-29-21(30-8-12)22(24,25)26/h2-5,7-11H,1H3,(H2,28,31,32)
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US Patent
n/an/an/an/a 46.8n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301420
PNG
(4-amino-7-{1-[1-(2,4-difluorophenyl)-1H-1,2,3-tria...)
Show SMILES CC(c1cn(nn1)-c1ccc(F)cc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C22H13F5N10/c1-10(15-8-36(35-34-15)16-3-2-12(23)4-14(16)24)18-13(5-28)17(19-20(29)32-9-33-37(18)19)11-6-30-21(31-7-11)22(25,26)27/h2-4,6-10H,1H3,(H2,29,32,33)
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n/an/an/an/a 10.6n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301423
PNG
(4-amino-7-{1-[1-(2,4-difluorophenyl)-1H-1,2,3-tria...)
Show SMILES CCC(c1cn(nn1)-c1ccc(F)cc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C23H15F5N10/c1-2-13(16-9-37(36-35-16)17-4-3-12(24)5-15(17)25)19-14(6-29)18(20-21(30)33-10-34-38(19)20)11-7-31-22(32-8-11)23(26,27)28/h3-5,7-10,13H,2H2,1H3,(H2,30,33,34)
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n/an/an/an/a 45.2n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301427
PNG
(4-amino-7-{1-[1-(propan-2-yl)-1H-pyrazol-4-yl]prop...)
Show SMILES CCC(c1cnn(c1)C(C)C)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C21H20F3N9/c1-4-14(13-8-30-32(9-13)11(2)3)17-15(5-25)16(18-19(26)29-10-31-33(17)18)12-6-27-20(28-7-12)21(22,23)24/h6-11,14H,4H2,1-3H3,(H2,26,29,31)
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n/an/an/an/a 48n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301431
PNG
(4-amino-7-{1-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]p...)
Show SMILES CCC(c1cnn(c1)-c1ccccc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C24H17F4N9/c1-2-15(14-10-34-36(11-14)18-6-4-3-5-17(18)25)20-16(7-29)19(21-22(30)33-12-35-37(20)21)13-8-31-23(32-9-13)24(26,27)28/h3-6,8-12,15H,2H2,1H3,(H2,30,33,35)
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n/an/an/an/a 0.200n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301438
PNG
(4-amino-7-{(1R)-1-[1-(2,4-difluorophenyl)-1H-pyraz...)
Show SMILES C[C@@H](c1cnn(c1)-c1ccc(F)cc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C23H14F5N9/c1-11(13-8-34-36(9-13)17-3-2-14(24)4-16(17)25)19-15(5-29)18(20-21(30)33-10-35-37(19)20)12-6-31-22(32-7-12)23(26,27)28/h2-4,6-11H,1H3,(H2,30,33,35)/t11-/m0/s1
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n/an/an/an/a 0.660n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301439
PNG
(4-amino-7-{[1-(2-fluorophenyl)-1H-1,2,3-triazol-4-...)
Show SMILES Nc1ncnn2c(Cc3cn(nn3)-c3ccccc3F)c(C#N)c(-c3cnc(nc3)C(F)(F)F)c12
Show InChI InChI=1S/C21H12F4N10/c22-14-3-1-2-4-15(14)34-9-12(32-33-34)5-16-13(6-26)17(18-19(27)30-10-31-35(16)18)11-7-28-20(29-8-11)21(23,24)25/h1-4,7-10H,5H2,(H2,27,30,31)
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n/an/an/an/a 27.1n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301439
PNG
(4-amino-7-{[1-(2-fluorophenyl)-1H-1,2,3-triazol-4-...)
Show SMILES Nc1ncnn2c(Cc3cn(nn3)-c3ccccc3F)c(C#N)c(-c3cnc(nc3)C(F)(F)F)c12
Show InChI InChI=1S/C21H12F4N10/c22-14-3-1-2-4-15(14)34-9-12(32-33-34)5-16-13(6-26)17(18-19(27)30-10-31-35(16)18)11-7-28-20(29-8-11)21(23,24)25/h1-4,7-10H,5H2,(H2,27,30,31)
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n/an/an/an/a 23.3n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301421
PNG
(4-amino-7-{1-[1-(2-fluorophenyl)-1H-1,2,3-triazol-...)
Show SMILES CCC(c1cn(nn1)-c1ccccc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C23H16F4N10/c1-2-13(16-10-36(35-34-16)17-6-4-3-5-15(17)24)19-14(7-28)18(20-21(29)32-11-33-37(19)20)12-8-30-22(31-9-12)23(25,26)27/h3-6,8-11,13H,2H2,1H3,(H2,29,32,33)
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n/an/an/an/a 7.86n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301447
PNG
(7-{1-[1-(2,4-difluorophenyl)-1H-1,2,3-triazol-4-yl...)
Show SMILES CC(c1cn(nn1)-c1ccc(F)cc1F)c1cc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C21H14F5N9/c1-10(15-8-34(33-32-15)16-3-2-12(22)4-14(16)23)17-5-13(18-19(27)30-9-31-35(17)18)11-6-28-20(29-7-11)21(24,25)26/h2-10H,1H3,(H2,27,30,31)
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n/an/an/an/a 225n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301453
PNG
(7-{1-[1-(2,5-difluorophenyl)-1H-1,2,3-triazol-4-yl...)
Show SMILES CCC(c1cn(nn1)-c1cc(F)ccc1F)c1cc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C22H16F5N9/c1-2-13(16-9-35(34-33-16)18-5-12(23)3-4-15(18)24)17-6-14(19-20(28)31-10-32-36(17)19)11-7-29-21(30-8-11)22(25,26)27/h3-10,13H,2H2,1H3,(H2,28,31,32)
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n/an/an/an/a 9.95n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301455
PNG
(7-{1-[1-(3,4-difluorophenyl)-1H-1,2,3-triazol-4-yl...)
Show SMILES CCC(c1cn(nn1)-c1ccc(F)c(F)c1)c1cc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C22H16F5N9/c1-2-13(17-9-35(34-33-17)12-3-4-15(23)16(24)5-12)18-6-14(19-20(28)31-10-32-36(18)19)11-7-29-21(30-8-11)22(25,26)27/h3-10,13H,2H2,1H3,(H2,28,31,32)
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n/an/an/an/a 177n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301455
PNG
(7-{1-[1-(3,4-difluorophenyl)-1H-1,2,3-triazol-4-yl...)
Show SMILES CCC(c1cn(nn1)-c1ccc(F)c(F)c1)c1cc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C22H16F5N9/c1-2-13(17-9-35(34-33-17)12-3-4-15(23)16(24)5-12)18-6-14(19-20(28)31-10-32-36(18)19)11-7-29-21(30-8-11)22(25,26)27/h3-10,13H,2H2,1H3,(H2,28,31,32)
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n/an/an/an/a 479n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301449
PNG
(7-{1-[1-(2-fluorophenyl)-1H-1,2,3-triazol-4-yl]pro...)
Show SMILES CCC(c1cn(nn1)-c1ccccc1F)c1cc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C22H17F4N9/c1-2-13(16-10-34(33-32-16)17-6-4-3-5-15(17)23)18-7-14(19-20(27)30-11-31-35(18)19)12-8-28-21(29-9-12)22(24,25)26/h3-11,13H,2H2,1H3,(H2,27,30,31)
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n/an/an/an/a 5.83n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301463
PNG
(BDBM301464 | US10131670, Example 87 | {1-[1-(2-Flu...)
Show SMILES CCC(c1cnn(c1)-c1ccccc1F)n1nc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C22H17F4N9/c1-2-15(13-9-32-34(10-13)16-6-4-3-5-14(16)23)35-20-17(19(27)30-11-31-20)18(33-35)12-7-28-21(29-8-12)22(24,25)26/h3-11,15H,2H2,1H3,(H2,27,30,31)
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n/an/an/an/a 78.8n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301470
PNG
(4-amino-5-[2-(difluoromethyl)pyrimidin-5-yl]-7-{1-...)
Show SMILES C[C@H](c1cnn(c1)-c1ccccc1F)c1c(C#N)c(-c2cnc(nc2)C(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C23H16F3N9/c1-12(14-9-32-34(10-14)17-5-3-2-4-16(17)24)19-15(6-27)18(20-22(28)31-11-33-35(19)20)13-7-29-23(21(25)26)30-8-13/h2-5,7-12,21H,1H3,(H2,28,31,33)/t12-/m1/s1
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n/an/an/an/a 0.400n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301473
PNG
(1-{1-[1-(2,4-difluorophenyl)-1H-1,2,3-triazol-4-yl...)
Show SMILES C[C@@H](c1cn(nn1)-c1cc(F)ccc1F)c1cc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C21H14F5N9/c1-10(15-8-34(33-32-15)17-4-12(22)2-3-14(17)23)16-5-13(18-19(27)30-9-31-35(16)18)11-6-28-20(29-7-11)21(24,25)26/h2-10H,1H3,(H2,27,30,31)/t10-/m0/s1
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n/an/an/an/a 29.2n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301418
PNG
(4-amino-7-{1-[1-(2-fluorophenyl)-1H-1,2,3-triazol-...)
Show SMILES CC(c1cn(nn1)-c1ccccc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C22H14F4N10/c1-11(15-9-35(34-33-15)16-5-3-2-4-14(16)23)18-13(6-27)17(19-20(28)31-10-32-36(18)19)12-7-29-21(30-8-12)22(24,25)26/h2-5,7-11H,1H3,(H2,28,31,32)
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n/an/an/an/a 51.1n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301423
PNG
(4-amino-7-{1-[1-(2,4-difluorophenyl)-1H-1,2,3-tria...)
Show SMILES CCC(c1cn(nn1)-c1ccc(F)cc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C23H15F5N10/c1-2-13(16-9-37(36-35-16)17-4-3-12(24)5-15(17)25)19-14(6-29)18(20-21(30)33-10-34-38(19)20)11-7-31-22(32-8-11)23(26,27)28/h3-5,7-10,13H,2H2,1H3,(H2,30,33,34)
PDB

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n/an/an/an/a 5.05n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301425
PNG
(4-amino-7-{1-[1-(2,5-difluorophenyl)-1H-1,2,3-tria...)
Show SMILES CCC(c1cn(nn1)-c1cc(F)ccc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C23H15F5N10/c1-2-13(16-9-37(36-35-16)17-5-12(24)3-4-15(17)25)19-14(6-29)18(20-21(30)33-10-34-38(19)20)11-7-31-22(32-8-11)23(26,27)28/h3-5,7-10,13H,2H2,1H3,(H2,30,33,34)
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US Patent
n/an/an/an/a 13n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301427
PNG
(4-amino-7-{1-[1-(propan-2-yl)-1H-pyrazol-4-yl]prop...)
Show SMILES CCC(c1cnn(c1)C(C)C)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C21H20F3N9/c1-4-14(13-8-30-32(9-13)11(2)3)17-15(5-25)16(18-19(26)29-10-31-33(17)18)12-6-27-20(28-7-12)21(22,23)24/h6-11,14H,4H2,1-3H3,(H2,26,29,31)
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n/an/an/an/a 6.96n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301429
PNG
(4-amino-7-{1-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]e...)
Show SMILES CC(c1cnn(c1)-c1ccccc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C23H15F4N9/c1-12(14-9-33-35(10-14)17-5-3-2-4-16(17)24)19-15(6-28)18(20-21(29)32-11-34-36(19)20)13-7-30-22(31-8-13)23(25,26)27/h2-5,7-12H,1H3,(H2,29,32,34)
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n/an/an/an/a 12.5n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301435
PNG
(4-amino-7-{1-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]e...)
Show SMILES CC(c1cc(no1)-c1ccccc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C23H14F4N8O/c1-11(17-6-16(34-36-17)13-4-2-3-5-15(13)24)19-14(7-28)18(20-21(29)32-10-33-35(19)20)12-8-30-22(31-9-12)23(25,26)27/h2-6,8-11H,1H3,(H2,29,32,33)
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n/an/an/an/a 3.10n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301437
PNG
(4-Amino-7-{1-[1-(2,4-difluorophenyl)-1H-pyrazol-4-...)
Show SMILES C[C@H](c1cnn(c1)-c1ccc(F)cc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C23H14F5N9/c1-11(13-8-34-36(9-13)17-3-2-14(24)4-16(17)25)19-15(5-29)18(20-21(30)33-10-35-37(19)20)12-6-31-22(32-7-12)23(26,27)28/h2-4,6-11H,1H3,(H2,30,33,35)/t11-/m1/s1
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n/an/an/an/a 8.94n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301457
PNG
(7-{1-[1-(2-fluorophenyl)-1H-1,2,3-triazol-4-yl]pro...)
Show SMILES CC[C@H](c1cn(nn1)-c1ccccc1F)c1cc(-c2cncnc2OC)c2c(N)ncnn12
Show InChI InChI=1S/C22H20FN9O/c1-3-13(17-10-31(30-29-17)18-7-5-4-6-16(18)23)19-8-14(15-9-25-11-27-22(15)33-2)20-21(24)26-12-28-32(19)20/h4-13H,3H2,1-2H3,(H2,24,26,28)/t13-/m1/s1
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n/an/an/an/a 14n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301458
PNG
(7-{1-[1-(2-fluorophenyl)-1H-1,2,3-triazol-4-yl]pro...)
Show SMILES CC[C@@H](c1cn(nn1)-c1ccccc1F)c1cc(-c2cncnc2OC)c2c(N)ncnn12
Show InChI InChI=1S/C22H20FN9O/c1-3-13(17-10-31(30-29-17)18-7-5-4-6-16(18)23)19-8-14(15-9-25-11-27-22(15)33-2)20-21(24)26-12-28-32(19)20/h4-13H,3H2,1-2H3,(H2,24,26,28)/t13-/m0/s1
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n/an/an/an/a 524n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301463
PNG
(BDBM301464 | US10131670, Example 87 | {1-[1-(2-Flu...)
Show SMILES CCC(c1cnn(c1)-c1ccccc1F)n1nc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C22H17F4N9/c1-2-15(13-9-32-34(10-13)16-6-4-3-5-14(16)23)35-20-17(19(27)30-11-31-20)18(33-35)12-7-28-21(29-8-12)22(24,25)26/h3-11,15H,2H2,1H3,(H2,27,30,31)
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n/an/an/an/a 4.76n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301465
PNG
(1-{1-[1-(2-Fluorophenyl)-1H-1,2,3-triazol-4-yl]pro...)
Show SMILES CCC(c1cn(nn1)-c1ccccc1F)n1nc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C21H16F4N10/c1-2-14(13-9-34(33-31-13)15-6-4-3-5-12(15)22)35-19-16(18(26)29-10-30-19)17(32-35)11-7-27-20(28-8-11)21(23,24)25/h3-10,14H,2H2,1H3,(H2,26,29,30)
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n/an/an/an/a 31.5n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301467
PNG
(5-(4-Chlorophenyl)-7-{[1-(2-fluorophenyl)-1H-1,2,3...)
Show SMILES Nc1ncnn2c(Cc3cn(nn3)-c3ccccc3F)nc(-c3ccc(Cl)cc3)c12
Show InChI InChI=1S/C20H14ClFN8/c21-13-7-5-12(6-8-13)18-19-20(23)24-11-25-30(19)17(26-18)9-14-10-29(28-27-14)16-4-2-1-3-15(16)22/h1-8,10-11H,9H2,(H2,23,24,25)
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n/an/an/an/a 116n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301469
PNG
(1-[1-(1-phenyl-1H-1,2,3-triazol-4-yl)propyl]-3-[2-...)
Show SMILES CC[C@@H](c1cn(nn1)-c1ccccc1)n1nc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C21H17F3N10/c1-2-15(14-10-33(32-30-14)13-6-4-3-5-7-13)34-19-16(18(25)28-11-29-19)17(31-34)12-8-26-20(27-9-12)21(22,23)24/h3-11,15H,2H2,1H3,(H2,25,28,29)/t15-/m0/s1
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n/an/an/an/a 349n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301473
PNG
(1-{1-[1-(2,4-difluorophenyl)-1H-1,2,3-triazol-4-yl...)
Show SMILES C[C@@H](c1cn(nn1)-c1cc(F)ccc1F)c1cc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C21H14F5N9/c1-10(15-8-34(33-32-15)17-4-12(22)2-3-14(17)23)16-5-13(18-19(27)30-9-31-35(16)18)11-6-28-20(29-7-11)21(24,25)26/h2-10H,1H3,(H2,27,30,31)/t10-/m0/s1
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n/an/an/an/a 37.2n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301421
PNG
(4-amino-7-{1-[1-(2-fluorophenyl)-1H-1,2,3-triazol-...)
Show SMILES CCC(c1cn(nn1)-c1ccccc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C23H16F4N10/c1-2-13(16-10-36(35-34-16)17-6-4-3-5-15(17)24)19-14(7-28)18(20-21(29)32-11-33-37(19)20)12-8-30-22(31-9-12)23(25,26)27/h3-6,8-11,13H,2H2,1H3,(H2,29,32,33)
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n/an/an/an/a 35.8n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301427
PNG
(4-amino-7-{1-[1-(propan-2-yl)-1H-pyrazol-4-yl]prop...)
Show SMILES CCC(c1cnn(c1)C(C)C)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C21H20F3N9/c1-4-14(13-8-30-32(9-13)11(2)3)17-15(5-25)16(18-19(26)29-10-31-33(17)18)12-6-27-20(28-7-12)21(22,23)24/h6-11,14H,4H2,1-3H3,(H2,26,29,31)
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n/an/an/an/a 95.9n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301435
PNG
(4-amino-7-{1-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]e...)
Show SMILES CC(c1cc(no1)-c1ccccc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C23H14F4N8O/c1-11(17-6-16(34-36-17)13-4-2-3-5-15(13)24)19-14(7-28)18(20-21(29)32-10-33-35(19)20)12-8-30-22(31-9-12)23(25,26)27/h2-6,8-11H,1H3,(H2,29,32,33)
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n/an/an/an/a 1.67n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301445
PNG
(7-{1-[1-(2-fluorophenyl)-1H-1,2,3-triazol-4-yl]eth...)
Show SMILES CC(c1cn(nn1)-c1ccccc1F)c1cc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C21H15F4N9/c1-11(15-9-33(32-31-15)16-5-3-2-4-14(16)22)17-6-13(18-19(26)29-10-30-34(17)18)12-7-27-20(28-8-12)21(23,24)25/h2-11H,1H3,(H2,26,29,30)
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n/an/an/an/a 7.40n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301447
PNG
(7-{1-[1-(2,4-difluorophenyl)-1H-1,2,3-triazol-4-yl...)
Show SMILES CC(c1cn(nn1)-c1ccc(F)cc1F)c1cc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C21H14F5N9/c1-10(15-8-34(33-32-15)16-3-2-12(22)4-14(16)23)17-5-13(18-19(27)30-9-31-35(17)18)11-6-28-20(29-7-11)21(24,25)26/h2-10H,1H3,(H2,27,30,31)
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n/an/an/an/a 7.48n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301462
PNG
(7-{1-[1-(2-Fluorophenyl)-1H-1,2,3-triazol-4-yl]pro...)
Show SMILES CCC(c1cn(nn1)-c1ccccc1F)c1cc(-c2cncnc2OC)c2c(N)ncnn12
Show InChI InChI=1S/C22H20FN9O/c1-3-13(17-10-31(30-29-17)18-7-5-4-6-16(18)23)19-8-14(15-9-25-11-27-22(15)33-2)20-21(24)26-12-28-32(19)20/h4-13H,3H2,1-2H3,(H2,24,26,28)
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n/an/an/an/a 18.4n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301463
PNG
(BDBM301464 | US10131670, Example 87 | {1-[1-(2-Flu...)
Show SMILES CCC(c1cnn(c1)-c1ccccc1F)n1nc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C22H17F4N9/c1-2-15(13-9-32-34(10-13)16-6-4-3-5-14(16)23)35-20-17(19(27)30-11-31-20)18(33-35)12-7-28-21(29-8-12)22(24,25)26/h3-11,15H,2H2,1H3,(H2,27,30,31)
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n/an/an/an/a 1.53n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301469
PNG
(1-[1-(1-phenyl-1H-1,2,3-triazol-4-yl)propyl]-3-[2-...)
Show SMILES CC[C@@H](c1cn(nn1)-c1ccccc1)n1nc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C21H17F3N10/c1-2-15(14-10-33(32-30-14)13-6-4-3-5-7-13)34-19-16(18(25)28-11-29-19)17(31-34)12-8-26-20(27-9-12)21(22,23)24/h3-11,15H,2H2,1H3,(H2,25,28,29)/t15-/m0/s1
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n/an/an/an/a 188n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301472
PNG
(7-{1-[1-(2,5-difluorophenyl)-1H-1,2,3-triazol-4-yl...)
Show SMILES C[C@H](c1cn(nn1)-c1cc(F)ccc1F)c1cc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C21H14F5N9/c1-10(15-8-34(33-32-15)17-4-12(22)2-3-14(17)23)16-5-13(18-19(27)30-9-31-35(16)18)11-6-28-20(29-7-11)21(24,25)26/h2-10H,1H3,(H2,27,30,31)/t10-/m1/s1
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n/an/an/an/a 26n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301418
PNG
(4-amino-7-{1-[1-(2-fluorophenyl)-1H-1,2,3-triazol-...)
Show SMILES CC(c1cn(nn1)-c1ccccc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C22H14F4N10/c1-11(15-9-35(34-33-15)16-5-3-2-4-14(16)23)18-13(6-27)17(19-20(28)31-10-32-36(18)19)12-7-29-21(30-8-12)22(24,25)26/h2-5,7-11H,1H3,(H2,28,31,32)
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n/an/an/an/a 11.2n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301421
PNG
(4-amino-7-{1-[1-(2-fluorophenyl)-1H-1,2,3-triazol-...)
Show SMILES CCC(c1cn(nn1)-c1ccccc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C23H16F4N10/c1-2-13(16-10-36(35-34-16)17-6-4-3-5-15(17)24)19-14(7-28)18(20-21(29)32-11-33-37(19)20)12-8-30-22(31-9-12)23(25,26)27/h3-6,8-11,13H,2H2,1H3,(H2,29,32,33)
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n/an/an/an/a 3.02n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301423
PNG
(4-amino-7-{1-[1-(2,4-difluorophenyl)-1H-1,2,3-tria...)
Show SMILES CCC(c1cn(nn1)-c1ccc(F)cc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C23H15F5N10/c1-2-13(16-9-37(36-35-16)17-4-3-12(24)5-15(17)25)19-14(6-29)18(20-21(30)33-10-34-38(19)20)11-7-31-22(32-8-11)23(26,27)28/h3-5,7-10,13H,2H2,1H3,(H2,30,33,34)
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n/an/an/an/a 5.48n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301423
PNG
(4-amino-7-{1-[1-(2,4-difluorophenyl)-1H-1,2,3-tria...)
Show SMILES CCC(c1cn(nn1)-c1ccc(F)cc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C23H15F5N10/c1-2-13(16-9-37(36-35-16)17-4-3-12(24)5-15(17)25)19-14(6-29)18(20-21(30)33-10-34-38(19)20)11-7-31-22(32-8-11)23(26,27)28/h3-5,7-10,13H,2H2,1H3,(H2,30,33,34)
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n/an/an/an/a 33.5n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301437
PNG
(4-Amino-7-{1-[1-(2,4-difluorophenyl)-1H-pyrazol-4-...)
Show SMILES C[C@H](c1cnn(c1)-c1ccc(F)cc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C23H14F5N9/c1-11(13-8-34-36(9-13)17-3-2-14(24)4-16(17)25)19-15(5-29)18(20-21(30)33-10-35-37(19)20)12-6-31-22(32-7-12)23(26,27)28/h2-4,6-11H,1H3,(H2,30,33,35)/t11-/m1/s1
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n/an/an/an/a 30n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301420
PNG
(4-amino-7-{1-[1-(2,4-difluorophenyl)-1H-1,2,3-tria...)
Show SMILES CC(c1cn(nn1)-c1ccc(F)cc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C22H13F5N10/c1-10(15-8-36(35-34-15)16-3-2-12(23)4-14(16)24)18-13(5-28)17(19-20(29)32-9-33-37(18)19)11-6-30-21(31-7-11)22(25,26)27/h2-4,6-10H,1H3,(H2,29,32,33)
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n/an/an/an/a 20.9n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301444
PNG
(4-Amino-7-{[3-(2-fluorophenyl)-1,2-oxazol-5-yl]met...)
Show SMILES Nc1ncnn2c(Cc3cc(no3)-c3ccccc3F)c(C#N)c(-c3cnc(nc3)C(F)(F)F)c12
Show InChI InChI=1S/C22H12F4N8O/c23-15-4-2-1-3-13(15)16-5-12(35-33-16)6-17-14(7-27)18(19-20(28)31-10-32-34(17)19)11-8-29-21(30-9-11)22(24,25)26/h1-5,8-10H,6H2,(H2,28,31,32)
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n/an/an/an/a 4n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301447
PNG
(7-{1-[1-(2,4-difluorophenyl)-1H-1,2,3-triazol-4-yl...)
Show SMILES CC(c1cn(nn1)-c1ccc(F)cc1F)c1cc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C21H14F5N9/c1-10(15-8-34(33-32-15)16-3-2-12(22)4-14(16)23)17-5-13(18-19(27)30-9-31-35(17)18)11-6-28-20(29-7-11)21(24,25)26/h2-10H,1H3,(H2,27,30,31)
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n/an/an/an/a 266n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301449
PNG
(7-{1-[1-(2-fluorophenyl)-1H-1,2,3-triazol-4-yl]pro...)
Show SMILES CCC(c1cn(nn1)-c1ccccc1F)c1cc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C22H17F4N9/c1-2-13(16-10-34(33-32-16)17-6-4-3-5-15(17)23)18-7-14(19-20(27)30-11-31-35(18)19)12-8-28-21(29-9-12)22(24,25)26/h3-11,13H,2H2,1H3,(H2,27,30,31)
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n/an/an/an/a 2n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301458
PNG
(7-{1-[1-(2-fluorophenyl)-1H-1,2,3-triazol-4-yl]pro...)
Show SMILES CC[C@@H](c1cn(nn1)-c1ccccc1F)c1cc(-c2cncnc2OC)c2c(N)ncnn12
Show InChI InChI=1S/C22H20FN9O/c1-3-13(17-10-31(30-29-17)18-7-5-4-6-16(18)23)19-8-14(15-9-25-11-27-22(15)33-2)20-21(24)26-12-28-32(19)20/h4-13H,3H2,1-2H3,(H2,24,26,28)/t13-/m0/s1
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n/an/an/an/a 123n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301468
PNG
(1-[1-(1-phenyl-1H-1,2,3-triazol-4-yl)propyl]-3-[2-...)
Show SMILES CC[C@H](c1cn(nn1)-c1ccccc1)n1nc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C21H17F3N10/c1-2-15(14-10-33(32-30-14)13-6-4-3-5-7-13)34-19-16(18(25)28-11-29-19)17(31-34)12-8-26-20(27-9-12)21(22,23)24/h3-11,15H,2H2,1H3,(H2,25,28,29)/t15-/m1/s1
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n/an/an/an/a 50.3n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301421
PNG
(4-amino-7-{1-[1-(2-fluorophenyl)-1H-1,2,3-triazol-...)
Show SMILES CCC(c1cn(nn1)-c1ccccc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C23H16F4N10/c1-2-13(16-10-36(35-34-16)17-6-4-3-5-15(17)24)19-14(7-28)18(20-21(29)32-11-33-37(19)20)12-8-30-22(31-9-12)23(25,26)27/h3-6,8-11,13H,2H2,1H3,(H2,29,32,33)
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n/an/an/an/a 20.5n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301425
PNG
(4-amino-7-{1-[1-(2,5-difluorophenyl)-1H-1,2,3-tria...)
Show SMILES CCC(c1cn(nn1)-c1cc(F)ccc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C23H15F5N10/c1-2-13(16-9-37(36-35-16)17-5-12(24)3-4-15(17)25)19-14(6-29)18(20-21(30)33-10-34-38(19)20)11-7-31-22(32-8-11)23(26,27)28/h3-5,7-10,13H,2H2,1H3,(H2,30,33,34)
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n/an/an/an/a 17.2n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301426
PNG
(4-amino-7-{1-[1-(3,4-difluorophenyl)-1H-1,2,3-tria...)
Show SMILES CCC(c1cn(nn1)-c1ccc(F)c(F)c1)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C23H15F5N10/c1-2-13(17-9-37(36-35-17)12-3-4-15(24)16(25)5-12)19-14(6-29)18(20-21(30)33-10-34-38(19)20)11-7-31-22(32-8-11)23(26,27)28/h3-5,7-10,13H,2H2,1H3,(H2,30,33,34)
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n/an/an/an/a 28.4n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301429
PNG
(4-amino-7-{1-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]e...)
Show SMILES CC(c1cnn(c1)-c1ccccc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C23H15F4N9/c1-12(14-9-33-35(10-14)17-5-3-2-4-16(17)24)19-15(6-28)18(20-21(29)32-11-34-36(19)20)13-7-30-22(31-8-13)23(25,26)27/h2-5,7-12H,1H3,(H2,29,32,34)
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n/an/an/an/a 4n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301433
PNG
(4-amino-7-{1-[1-(2,4-difluorophenyl)-1H-pyrazol-4-...)
Show SMILES CCC(c1cnn(c1)-c1ccc(F)cc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C24H16F5N9/c1-2-15(13-9-35-37(10-13)18-4-3-14(25)5-17(18)26)20-16(6-30)19(21-22(31)34-11-36-38(20)21)12-7-32-23(33-8-12)24(27,28)29/h3-5,7-11,15H,2H2,1H3,(H2,31,34,36)
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n/an/an/an/a 0.560n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301438
PNG
(4-amino-7-{(1R)-1-[1-(2,4-difluorophenyl)-1H-pyraz...)
Show SMILES C[C@@H](c1cnn(c1)-c1ccc(F)cc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C23H14F5N9/c1-11(13-8-34-36(9-13)17-3-2-14(24)4-16(17)25)19-15(5-29)18(20-21(30)33-10-35-37(19)20)12-6-31-22(32-7-12)23(26,27)28/h2-4,6-11H,1H3,(H2,30,33,35)/t11-/m0/s1
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n/an/an/an/a 3.13n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301442
PNG
(4-amino-7-{[1-(2-fluorophenyl)-1H-pyrazol-4-yl]met...)
Show SMILES Nc1ncnn2c(Cc3cnn(c3)-c3ccccc3F)c(C#N)c(-c3cnc(nc3)C(F)(F)F)c12
Show InChI InChI=1S/C22H13F4N9/c23-15-3-1-2-4-16(15)34-10-12(7-32-34)5-17-14(6-27)18(19-20(28)31-11-33-35(17)19)13-8-29-21(30-9-13)22(24,25)26/h1-4,7-11H,5H2,(H2,28,31,33)
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n/an/an/an/a 0.570n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301445
PNG
(7-{1-[1-(2-fluorophenyl)-1H-1,2,3-triazol-4-yl]eth...)
Show SMILES CC(c1cn(nn1)-c1ccccc1F)c1cc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C21H15F4N9/c1-11(15-9-33(32-31-15)16-5-3-2-4-14(16)22)17-6-13(18-19(26)29-10-30-34(17)18)12-7-27-20(28-8-12)21(23,24)25/h2-11H,1H3,(H2,26,29,30)
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n/an/an/an/a 76.4n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301445
PNG
(7-{1-[1-(2-fluorophenyl)-1H-1,2,3-triazol-4-yl]eth...)
Show SMILES CC(c1cn(nn1)-c1ccccc1F)c1cc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C21H15F4N9/c1-11(15-9-33(32-31-15)16-5-3-2-4-14(16)22)17-6-13(18-19(26)29-10-30-34(17)18)12-7-27-20(28-8-12)21(23,24)25/h2-11H,1H3,(H2,26,29,30)
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n/an/an/an/a 6.48n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301453
PNG
(7-{1-[1-(2,5-difluorophenyl)-1H-1,2,3-triazol-4-yl...)
Show SMILES CCC(c1cn(nn1)-c1cc(F)ccc1F)c1cc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C22H16F5N9/c1-2-13(16-9-35(34-33-16)18-5-12(23)3-4-15(18)24)17-6-14(19-20(28)31-10-32-36(17)19)11-7-29-21(30-8-11)22(25,26)27/h3-10,13H,2H2,1H3,(H2,28,31,32)
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n/an/an/an/a 17.6n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301449
PNG
(7-{1-[1-(2-fluorophenyl)-1H-1,2,3-triazol-4-yl]pro...)
Show SMILES CCC(c1cn(nn1)-c1ccccc1F)c1cc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C22H17F4N9/c1-2-13(16-10-34(33-32-16)17-6-4-3-5-15(17)23)18-7-14(19-20(27)30-11-31-35(18)19)12-8-28-21(29-9-12)22(24,25)26/h3-11,13H,2H2,1H3,(H2,27,30,31)
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n/an/an/an/a 4.93n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301462
PNG
(7-{1-[1-(2-Fluorophenyl)-1H-1,2,3-triazol-4-yl]pro...)
Show SMILES CCC(c1cn(nn1)-c1ccccc1F)c1cc(-c2cncnc2OC)c2c(N)ncnn12
Show InChI InChI=1S/C22H20FN9O/c1-3-13(17-10-31(30-29-17)18-7-5-4-6-16(18)23)19-8-14(15-9-25-11-27-22(15)33-2)20-21(24)26-12-28-32(19)20/h4-13H,3H2,1-2H3,(H2,24,26,28)
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n/an/an/an/a 16n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301465
PNG
(1-{1-[1-(2-Fluorophenyl)-1H-1,2,3-triazol-4-yl]pro...)
Show SMILES CCC(c1cn(nn1)-c1ccccc1F)n1nc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C21H16F4N10/c1-2-14(13-9-34(33-31-13)15-6-4-3-5-12(15)22)35-19-16(18(26)29-10-30-19)17(32-35)11-7-27-20(28-8-11)21(23,24)25/h3-10,14H,2H2,1H3,(H2,26,29,30)
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n/an/an/an/a 189n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301465
PNG
(1-{1-[1-(2-Fluorophenyl)-1H-1,2,3-triazol-4-yl]pro...)
Show SMILES CCC(c1cn(nn1)-c1ccccc1F)n1nc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C21H16F4N10/c1-2-14(13-9-34(33-31-13)15-6-4-3-5-12(15)22)35-19-16(18(26)29-10-30-19)17(32-35)11-7-27-20(28-8-11)21(23,24)25/h3-10,14H,2H2,1H3,(H2,26,29,30)
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n/an/an/an/a 219n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301465
PNG
(1-{1-[1-(2-Fluorophenyl)-1H-1,2,3-triazol-4-yl]pro...)
Show SMILES CCC(c1cn(nn1)-c1ccccc1F)n1nc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C21H16F4N10/c1-2-14(13-9-34(33-31-13)15-6-4-3-5-12(15)22)35-19-16(18(26)29-10-30-19)17(32-35)11-7-27-20(28-8-11)21(23,24)25/h3-10,14H,2H2,1H3,(H2,26,29,30)
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n/an/an/an/a 31.8n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301420
PNG
(4-amino-7-{1-[1-(2,4-difluorophenyl)-1H-1,2,3-tria...)
Show SMILES CC(c1cn(nn1)-c1ccc(F)cc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C22H13F5N10/c1-10(15-8-36(35-34-15)16-3-2-12(23)4-14(16)24)18-13(5-28)17(19-20(29)32-9-33-37(18)19)11-6-30-21(31-7-11)22(25,26)27/h2-4,6-10H,1H3,(H2,29,32,33)
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n/an/an/an/a 14.6n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301431
PNG
(4-amino-7-{1-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]p...)
Show SMILES CCC(c1cnn(c1)-c1ccccc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C24H17F4N9/c1-2-15(14-10-34-36(11-14)18-6-4-3-5-17(18)25)20-16(7-29)19(21-22(30)33-12-35-37(20)21)13-8-31-23(32-9-13)24(26,27)28/h3-6,8-12,15H,2H2,1H3,(H2,30,33,35)
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n/an/an/an/a 0.560n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301433
PNG
(4-amino-7-{1-[1-(2,4-difluorophenyl)-1H-pyrazol-4-...)
Show SMILES CCC(c1cnn(c1)-c1ccc(F)cc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C24H16F5N9/c1-2-15(13-9-35-37(10-13)18-4-3-14(25)5-17(18)26)20-16(6-30)19(21-22(31)34-11-36-38(20)21)12-7-32-23(33-8-12)24(27,28)29/h3-5,7-11,15H,2H2,1H3,(H2,31,34,36)
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n/an/an/an/a 3n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301442
PNG
(4-amino-7-{[1-(2-fluorophenyl)-1H-pyrazol-4-yl]met...)
Show SMILES Nc1ncnn2c(Cc3cnn(c3)-c3ccccc3F)c(C#N)c(-c3cnc(nc3)C(F)(F)F)c12
Show InChI InChI=1S/C22H13F4N9/c23-15-3-1-2-4-16(15)34-10-12(7-32-34)5-17-14(6-27)18(19-20(28)31-11-33-35(17)19)13-8-29-21(30-9-13)22(24,25)26/h1-4,7-11H,5H2,(H2,28,31,33)
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n/an/an/an/a 0.860n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301449
PNG
(7-{1-[1-(2-fluorophenyl)-1H-1,2,3-triazol-4-yl]pro...)
Show SMILES CCC(c1cn(nn1)-c1ccccc1F)c1cc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C22H17F4N9/c1-2-13(16-10-34(33-32-16)17-6-4-3-5-15(17)23)18-7-14(19-20(27)30-11-31-35(18)19)12-8-28-21(29-9-12)22(24,25)26/h3-11,13H,2H2,1H3,(H2,27,30,31)
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n/an/an/an/a 1.88n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301449
PNG
(7-{1-[1-(2-fluorophenyl)-1H-1,2,3-triazol-4-yl]pro...)
Show SMILES CCC(c1cn(nn1)-c1ccccc1F)c1cc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C22H17F4N9/c1-2-13(16-10-34(33-32-16)17-6-4-3-5-15(17)23)18-7-14(19-20(27)30-11-31-35(18)19)12-8-28-21(29-9-12)22(24,25)26/h3-11,13H,2H2,1H3,(H2,27,30,31)
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n/an/an/an/a 91.2n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301451
PNG
(7-{1-[1-(2,4-difluorophenyl)-1H-1,2,3-triazol-4-yl...)
Show SMILES CCC(c1cn(nn1)-c1ccc(F)cc1F)c1cc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C22H16F5N9/c1-2-13(16-9-35(34-33-16)17-4-3-12(23)5-15(17)24)18-6-14(19-20(28)31-10-32-36(18)19)11-7-29-21(30-8-11)22(25,26)27/h3-10,13H,2H2,1H3,(H2,28,31,32)
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n/an/an/an/a 249n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301453
PNG
(7-{1-[1-(2,5-difluorophenyl)-1H-1,2,3-triazol-4-yl...)
Show SMILES CCC(c1cn(nn1)-c1cc(F)ccc1F)c1cc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C22H16F5N9/c1-2-13(16-9-35(34-33-16)18-5-12(23)3-4-15(18)24)17-6-14(19-20(28)31-10-32-36(17)19)11-7-29-21(30-8-11)22(25,26)27/h3-10,13H,2H2,1H3,(H2,28,31,32)
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n/an/an/an/a 73.7n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301459
PNG
(1-{4-amino-5-[2-(trifluoromethyl)pyrimidin-5-yl]py...)
Show SMILES CC(O)(c1cn(nn1)-c1ccccc1F)c1cc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C21H15F4N9O/c1-20(35,15-9-33(32-31-15)14-5-3-2-4-13(14)22)16-6-12(17-18(26)29-10-30-34(16)17)11-7-27-19(28-8-11)21(23,24)25/h2-10,35H,1H3,(H2,26,29,30)
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n/an/an/an/a 147n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301463
PNG
(BDBM301464 | US10131670, Example 87 | {1-[1-(2-Flu...)
Show SMILES CCC(c1cnn(c1)-c1ccccc1F)n1nc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C22H17F4N9/c1-2-15(13-9-32-34(10-13)16-6-4-3-5-14(16)23)35-20-17(19(27)30-11-31-20)18(33-35)12-7-28-21(29-8-12)22(24,25)26/h3-11,15H,2H2,1H3,(H2,27,30,31)
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n/an/an/an/a 31n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301471
PNG
(4-amino-5-[2-(difluoromethyl)pyrimidin-5-yl]-7-{1-...)
Show SMILES C[C@@H](c1cnn(c1)-c1ccccc1F)c1c(C#N)c(-c2cnc(nc2)C(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C23H16F3N9/c1-12(14-9-32-34(10-14)17-5-3-2-4-16(17)24)19-15(6-27)18(20-22(28)31-11-33-35(19)20)13-7-29-23(21(25)26)30-8-13/h2-5,7-12,21H,1H3,(H2,28,31,33)/t12-/m0/s1
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n/an/an/an/a 3.87n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301418
PNG
(4-amino-7-{1-[1-(2-fluorophenyl)-1H-1,2,3-triazol-...)
Show SMILES CC(c1cn(nn1)-c1ccccc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C22H14F4N10/c1-11(15-9-35(34-33-15)16-5-3-2-4-14(16)23)18-13(6-27)17(19-20(28)31-10-32-36(18)19)12-7-29-21(30-8-12)22(24,25)26/h2-5,7-11H,1H3,(H2,28,31,32)
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n/an/an/an/a 9.14n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301426
PNG
(4-amino-7-{1-[1-(3,4-difluorophenyl)-1H-1,2,3-tria...)
Show SMILES CCC(c1cn(nn1)-c1ccc(F)c(F)c1)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C23H15F5N10/c1-2-13(17-9-37(36-35-17)12-3-4-15(24)16(25)5-12)19-14(6-29)18(20-21(30)33-10-34-38(19)20)11-7-31-22(32-8-11)23(26,27)28/h3-5,7-10,13H,2H2,1H3,(H2,30,33,34)
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n/an/an/an/a 41.2n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301427
PNG
(4-amino-7-{1-[1-(propan-2-yl)-1H-pyrazol-4-yl]prop...)
Show SMILES CCC(c1cnn(c1)C(C)C)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C21H20F3N9/c1-4-14(13-8-30-32(9-13)11(2)3)17-15(5-25)16(18-19(26)29-10-31-33(17)18)12-6-27-20(28-7-12)21(22,23)24/h6-11,14H,4H2,1-3H3,(H2,26,29,31)
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n/an/an/an/a 4.17n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301433
PNG
(4-amino-7-{1-[1-(2,4-difluorophenyl)-1H-pyrazol-4-...)
Show SMILES CCC(c1cnn(c1)-c1ccc(F)cc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C24H16F5N9/c1-2-15(13-9-35-37(10-13)18-4-3-14(25)5-17(18)26)20-16(6-30)19(21-22(31)34-11-36-38(20)21)12-7-32-23(33-8-12)24(27,28)29/h3-5,7-11,15H,2H2,1H3,(H2,31,34,36)
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n/an/an/an/a 0.420n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301443
PNG
(4-amino-5-[2-(difluoromethyl)pyrimidin-5-yl]-7-{[1...)
Show SMILES Nc1ncnn2c(Cc3cnn(c3)-c3ccccc3F)c(C#N)c(-c3cnc(nc3)C(F)F)c12
Show InChI InChI=1S/C22H14F3N9/c23-15-3-1-2-4-16(15)33-10-12(7-31-33)5-17-14(6-26)18(19-21(27)30-11-32-34(17)19)13-8-28-22(20(24)25)29-9-13/h1-4,7-11,20H,5H2,(H2,27,30,32)
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n/an/an/an/a 1.05n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301445
PNG
(7-{1-[1-(2-fluorophenyl)-1H-1,2,3-triazol-4-yl]eth...)
Show SMILES CC(c1cn(nn1)-c1ccccc1F)c1cc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C21H15F4N9/c1-11(15-9-33(32-31-15)16-5-3-2-4-14(16)22)17-6-13(18-19(26)29-10-30-34(17)18)12-7-27-20(28-8-12)21(23,24)25/h2-11H,1H3,(H2,26,29,30)
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n/an/an/an/a 171n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301451
PNG
(7-{1-[1-(2,4-difluorophenyl)-1H-1,2,3-triazol-4-yl...)
Show SMILES CCC(c1cn(nn1)-c1ccc(F)cc1F)c1cc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C22H16F5N9/c1-2-13(16-9-35(34-33-16)17-4-3-12(23)5-15(17)24)18-6-14(19-20(28)31-10-32-36(18)19)11-7-29-21(30-8-11)22(25,26)27/h3-10,13H,2H2,1H3,(H2,28,31,32)
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n/an/an/an/a 2n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301457
PNG
(7-{1-[1-(2-fluorophenyl)-1H-1,2,3-triazol-4-yl]pro...)
Show SMILES CC[C@H](c1cn(nn1)-c1ccccc1F)c1cc(-c2cncnc2OC)c2c(N)ncnn12
Show InChI InChI=1S/C22H20FN9O/c1-3-13(17-10-31(30-29-17)18-7-5-4-6-16(18)23)19-8-14(15-9-25-11-27-22(15)33-2)20-21(24)26-12-28-32(19)20/h4-13H,3H2,1-2H3,(H2,24,26,28)/t13-/m1/s1
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n/an/an/an/a 10.4n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301459
PNG
(1-{4-amino-5-[2-(trifluoromethyl)pyrimidin-5-yl]py...)
Show SMILES CC(O)(c1cn(nn1)-c1ccccc1F)c1cc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C21H15F4N9O/c1-20(35,15-9-33(32-31-15)14-5-3-2-4-13(14)22)16-6-12(17-18(26)29-10-30-34(16)17)11-7-27-19(28-8-11)21(23,24)25/h2-10,35H,1H3,(H2,26,29,30)
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n/an/an/an/a 2.31E+3n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301468
PNG
(1-[1-(1-phenyl-1H-1,2,3-triazol-4-yl)propyl]-3-[2-...)
Show SMILES CC[C@H](c1cn(nn1)-c1ccccc1)n1nc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C21H17F3N10/c1-2-15(14-10-33(32-30-14)13-6-4-3-5-7-13)34-19-16(18(25)28-11-29-19)17(31-34)12-8-26-20(27-9-12)21(22,23)24/h3-11,15H,2H2,1H3,(H2,25,28,29)/t15-/m1/s1
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n/an/an/an/a 74.4n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301421
PNG
(4-amino-7-{1-[1-(2-fluorophenyl)-1H-1,2,3-triazol-...)
Show SMILES CCC(c1cn(nn1)-c1ccccc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C23H16F4N10/c1-2-13(16-10-36(35-34-16)17-6-4-3-5-15(17)24)19-14(7-28)18(20-21(29)32-11-33-37(19)20)12-8-30-22(31-9-12)23(25,26)27/h3-6,8-11,13H,2H2,1H3,(H2,29,32,33)
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n/an/an/an/a 2.13n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301429
PNG
(4-amino-7-{1-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]e...)
Show SMILES CC(c1cnn(c1)-c1ccccc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C23H15F4N9/c1-12(14-9-33-35(10-14)17-5-3-2-4-16(17)24)19-15(6-28)18(20-21(29)32-11-34-36(19)20)13-7-30-22(31-8-13)23(25,26)27/h2-5,7-12H,1H3,(H2,29,32,34)
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n/an/an/an/a 0.420n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301429
PNG
(4-amino-7-{1-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]e...)
Show SMILES CC(c1cnn(c1)-c1ccccc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C23H15F4N9/c1-12(14-9-33-35(10-14)17-5-3-2-4-16(17)24)19-15(6-28)18(20-21(29)32-11-34-36(19)20)13-7-30-22(31-8-13)23(25,26)27/h2-5,7-12H,1H3,(H2,29,32,34)
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n/an/an/an/a 0.620n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301431
PNG
(4-amino-7-{1-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]p...)
Show SMILES CCC(c1cnn(c1)-c1ccccc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C24H17F4N9/c1-2-15(14-10-34-36(11-14)18-6-4-3-5-17(18)25)20-16(7-29)19(21-22(30)33-12-35-37(20)21)13-8-31-23(32-9-13)24(26,27)28/h3-6,8-12,15H,2H2,1H3,(H2,30,33,35)
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n/an/an/an/a 2n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301431
PNG
(4-amino-7-{1-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]p...)
Show SMILES CCC(c1cnn(c1)-c1ccccc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C24H17F4N9/c1-2-15(14-10-34-36(11-14)18-6-4-3-5-17(18)25)20-16(7-29)19(21-22(30)33-12-35-37(20)21)13-8-31-23(32-9-13)24(26,27)28/h3-6,8-12,15H,2H2,1H3,(H2,30,33,35)
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n/an/an/an/a 6.59n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301433
PNG
(4-amino-7-{1-[1-(2,4-difluorophenyl)-1H-pyrazol-4-...)
Show SMILES CCC(c1cnn(c1)-c1ccc(F)cc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C24H16F5N9/c1-2-15(13-9-35-37(10-13)18-4-3-14(25)5-17(18)26)20-16(6-30)19(21-22(31)34-11-36-38(20)21)12-7-32-23(33-8-12)24(27,28)29/h3-5,7-11,15H,2H2,1H3,(H2,31,34,36)
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n/an/an/an/a 13.3n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301435
PNG
(4-amino-7-{1-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]e...)
Show SMILES CC(c1cc(no1)-c1ccccc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C23H14F4N8O/c1-11(17-6-16(34-36-17)13-4-2-3-5-15(13)24)19-14(7-28)18(20-21(29)32-10-33-35(19)20)12-8-30-22(31-9-12)23(25,26)27/h2-6,8-11H,1H3,(H2,29,32,33)
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n/an/an/an/a 5n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301435
PNG
(4-amino-7-{1-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]e...)
Show SMILES CC(c1cc(no1)-c1ccccc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C23H14F4N8O/c1-11(17-6-16(34-36-17)13-4-2-3-5-15(13)24)19-14(7-28)18(20-21(29)32-10-33-35(19)20)12-8-30-22(31-9-12)23(25,26)27/h2-6,8-11H,1H3,(H2,29,32,33)
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n/an/an/an/a 13.8n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301420
PNG
(4-amino-7-{1-[1-(2,4-difluorophenyl)-1H-1,2,3-tria...)
Show SMILES CC(c1cn(nn1)-c1ccc(F)cc1F)c1c(C#N)c(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C22H13F5N10/c1-10(15-8-36(35-34-15)16-3-2-12(23)4-14(16)24)18-13(5-28)17(19-20(29)32-9-33-37(18)19)11-6-30-21(31-7-11)22(25,26)27/h2-4,6-10H,1H3,(H2,29,32,33)
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n/an/an/an/a 28.7n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301443
PNG
(4-amino-5-[2-(difluoromethyl)pyrimidin-5-yl]-7-{[1...)
Show SMILES Nc1ncnn2c(Cc3cnn(c3)-c3ccccc3F)c(C#N)c(-c3cnc(nc3)C(F)F)c12
Show InChI InChI=1S/C22H14F3N9/c23-15-3-1-2-4-16(15)33-10-12(7-31-33)5-17-14(6-26)18(19-21(27)30-11-32-34(17)19)13-8-28-22(20(24)25)29-9-13/h1-4,7-11,20H,5H2,(H2,27,30,32)
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n/an/an/an/a 0.410n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301444
PNG
(4-Amino-7-{[3-(2-fluorophenyl)-1,2-oxazol-5-yl]met...)
Show SMILES Nc1ncnn2c(Cc3cc(no3)-c3ccccc3F)c(C#N)c(-c3cnc(nc3)C(F)(F)F)c12
Show InChI InChI=1S/C22H12F4N8O/c23-15-4-2-1-3-13(15)16-5-12(35-33-16)6-17-14(7-27)18(19-20(28)31-10-32-34(17)19)11-8-29-21(30-9-11)22(24,25)26/h1-5,8-10H,6H2,(H2,28,31,32)
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n/an/an/an/a 4.65n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301447
PNG
(7-{1-[1-(2,4-difluorophenyl)-1H-1,2,3-triazol-4-yl...)
Show SMILES CC(c1cn(nn1)-c1ccc(F)cc1F)c1cc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C21H14F5N9/c1-10(15-8-34(33-32-15)16-3-2-12(22)4-14(16)23)17-5-13(18-19(27)30-9-31-35(17)18)11-6-28-20(29-7-11)21(24,25)26/h2-10H,1H3,(H2,27,30,31)
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n/an/an/an/a 8.76n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301449
PNG
(7-{1-[1-(2-fluorophenyl)-1H-1,2,3-triazol-4-yl]pro...)
Show SMILES CCC(c1cn(nn1)-c1ccccc1F)c1cc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C22H17F4N9/c1-2-13(16-10-34(33-32-16)17-6-4-3-5-15(17)23)18-7-14(19-20(27)30-11-31-35(18)19)12-8-28-21(29-9-12)22(24,25)26/h3-11,13H,2H2,1H3,(H2,27,30,31)
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n/an/an/an/a 36.6n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301451
PNG
(7-{1-[1-(2,4-difluorophenyl)-1H-1,2,3-triazol-4-yl...)
Show SMILES CCC(c1cn(nn1)-c1ccc(F)cc1F)c1cc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C22H16F5N9/c1-2-13(16-9-35(34-33-16)17-4-3-12(23)5-15(17)24)18-6-14(19-20(28)31-10-32-36(18)19)11-7-29-21(30-8-11)22(25,26)27/h3-10,13H,2H2,1H3,(H2,28,31,32)
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n/an/an/an/a 115n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301451
PNG
(7-{1-[1-(2,4-difluorophenyl)-1H-1,2,3-triazol-4-yl...)
Show SMILES CCC(c1cn(nn1)-c1ccc(F)cc1F)c1cc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C22H16F5N9/c1-2-13(16-9-35(34-33-16)17-4-3-12(23)5-15(17)24)18-6-14(19-20(28)31-10-32-36(18)19)11-7-29-21(30-8-11)22(25,26)27/h3-10,13H,2H2,1H3,(H2,28,31,32)
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n/an/an/an/a 3.36n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301453
PNG
(7-{1-[1-(2,5-difluorophenyl)-1H-1,2,3-triazol-4-yl...)
Show SMILES CCC(c1cn(nn1)-c1cc(F)ccc1F)c1cc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C22H16F5N9/c1-2-13(16-9-35(34-33-16)18-5-12(23)3-4-15(18)24)17-6-14(19-20(28)31-10-32-36(17)19)11-7-29-21(30-8-11)22(25,26)27/h3-10,13H,2H2,1H3,(H2,28,31,32)
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n/an/an/an/a 253n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301455
PNG
(7-{1-[1-(3,4-difluorophenyl)-1H-1,2,3-triazol-4-yl...)
Show SMILES CCC(c1cn(nn1)-c1ccc(F)c(F)c1)c1cc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C22H16F5N9/c1-2-13(17-9-35(34-33-17)12-3-4-15(23)16(24)5-12)18-6-14(19-20(28)31-10-32-36(18)19)11-7-29-21(30-8-11)22(25,26)27/h3-10,13H,2H2,1H3,(H2,28,31,32)
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n/an/an/an/a 19.3n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301455
PNG
(7-{1-[1-(3,4-difluorophenyl)-1H-1,2,3-triazol-4-yl...)
Show SMILES CCC(c1cn(nn1)-c1ccc(F)c(F)c1)c1cc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C22H16F5N9/c1-2-13(17-9-35(34-33-17)12-3-4-15(23)16(24)5-12)18-6-14(19-20(28)31-10-32-36(18)19)11-7-29-21(30-8-11)22(25,26)27/h3-10,13H,2H2,1H3,(H2,28,31,32)
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n/an/an/an/a 29.6n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301459
PNG
(1-{4-amino-5-[2-(trifluoromethyl)pyrimidin-5-yl]py...)
Show SMILES CC(O)(c1cn(nn1)-c1ccccc1F)c1cc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C21H15F4N9O/c1-20(35,15-9-33(32-31-15)14-5-3-2-4-13(14)22)16-6-12(17-18(26)29-10-30-34(16)17)11-7-27-19(28-8-11)21(23,24)25/h2-10,35H,1H3,(H2,26,29,30)
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n/an/an/an/a 50.5n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301467
PNG
(5-(4-Chlorophenyl)-7-{[1-(2-fluorophenyl)-1H-1,2,3...)
Show SMILES Nc1ncnn2c(Cc3cn(nn3)-c3ccccc3F)nc(-c3ccc(Cl)cc3)c12
Show InChI InChI=1S/C20H14ClFN8/c21-13-7-5-12(6-8-13)18-19-20(23)24-11-25-30(19)17(26-18)9-14-10-29(28-27-14)16-4-2-1-3-15(16)22/h1-8,10-11H,9H2,(H2,23,24,25)
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n/an/an/an/a 54.4n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens)
BDBM301472
PNG
(7-{1-[1-(2,5-difluorophenyl)-1H-1,2,3-triazol-4-yl...)
Show SMILES C[C@H](c1cn(nn1)-c1cc(F)ccc1F)c1cc(-c2cnc(nc2)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1S/C21H14F5N9/c1-10(15-8-34(33-32-15)17-4-12(22)2-3-14(17)23)16-5-13(18-19(27)30-9-31-35(16)18)11-6-28-20(29-7-11)21(24,25)26/h2-10H,1H3,(H2,27,30,31)/t10-/m1/s1
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n/an/an/an/a 19.8n/an/an/an/a



CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC.

US Patent


Assay Description
Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 ...


US Patent US10131670 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%