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Found 620 hits Enz. Inhib. hit(s) with Target = 'Cystic fibrosis transmembrane conductance regulator'   
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 (Human))
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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US Patent
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 (Human))
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 (Human))
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 (Human))
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 (Human))
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 (Human))
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 (Human))
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 (Human))
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 (Human))
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 (Human))
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 (Human))
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 (Human))
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 (Human))
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 (Human))
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 (Human))
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 (Human))
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 (Human))
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 (Human))
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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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 (Human))
BDBM50035582
PNG
(CHEMBL3357142)
Show SMILES CC(C)(C)c1cc(F)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O
Show InChI InChI=1S/C20H19FN2O3/c1-20(2,3)13-8-14(21)16(9-17(13)24)23-19(26)12-10-22-15-7-5-4-6-11(15)18(12)25/h4-10,24H,1-3H3,(H,22,25)(H,23,26)
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Article
PubMed
n/an/an/an/a 2n/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Potentiation of human CFTR F508del mutant expressed in mouse NIH-3T3 cells after 30 mins by fluorescent voltage sensing optical assay


J Med Chem 57: 9776-95 (2014)


Article DOI: 10.1021/jm5012808
BindingDB Entry DOI: 10.7270/Q2TH8P9K
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
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 (Human))
BDBM50032693
PNG
(CHEBI:66901 | IVACAFTOR | Ivacaftor | Kalydeco | V...)
Show SMILES CC(C)(C)c1cc(c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)C(C)(C)C
Show InChI InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29)
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n/an/an/an/a 3n/an/an/an/a



JL3Pharma LLC

Curated by ChEMBL


Assay Description
Corrector activity at CFTR mutant (unknown origin) by phenotypic screening assay


J Med Chem 57: 9774-5 (2014)


Article DOI: 10.1021/jm5016928
BindingDB Entry DOI: 10.7270/Q2J96808
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50032693
PNG
(CHEBI:66901 | IVACAFTOR | Ivacaftor | Kalydeco | V...)
Show SMILES CC(C)(C)c1cc(c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)C(C)(C)C
Show InChI InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29)
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Potentiation of human CFTR F508del mutant expressed in mouse NIH-3T3 cells after 30 mins by fluorescent voltage sensing optical assay


J Med Chem 57: 9776-95 (2014)


Article DOI: 10.1021/jm5012808
BindingDB Entry DOI: 10.7270/Q2TH8P9K
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50035583
PNG
(CHEMBL3357143)
Show SMILES CC(C)(C)c1cc(c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)C(F)(F)F
Show InChI InChI=1S/C21H19F3N2O3/c1-20(2,3)14-8-13(21(22,23)24)16(9-17(14)27)26-19(29)12-10-25-15-7-5-4-6-11(15)18(12)28/h4-10,27H,1-3H3,(H,25,28)(H,26,29)
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Potentiation of human CFTR F508del mutant expressed in mouse NIH-3T3 cells after 30 mins by fluorescent voltage sensing optical assay


J Med Chem 57: 9776-95 (2014)


Article DOI: 10.1021/jm5012808
BindingDB Entry DOI: 10.7270/Q2TH8P9K
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50035581
PNG
(CHEMBL3357141)
Show SMILES CC(C)(C)c1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O
Show InChI InChI=1S/C20H20N2O3/c1-20(2,3)15-9-8-12(10-17(15)23)22-19(25)14-11-21-16-7-5-4-6-13(16)18(14)24/h4-11,23H,1-3H3,(H,21,24)(H,22,25)
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Potentiation of human CFTR F508del mutant expressed in mouse NIH-3T3 cells after 30 mins by fluorescent voltage sensing optical assay


J Med Chem 57: 9776-95 (2014)


Article DOI: 10.1021/jm5012808
BindingDB Entry DOI: 10.7270/Q2TH8P9K
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
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 (Human))
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 (Human))
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 (Human))
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 (Human))
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 (Human))
BDBM50165000
PNG
((S)-2-(3-Isopropoxy-4-methoxy-benzoyl)-1,2,3,4-tet...)
Show SMILES CCCCCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccc(OC)c(OC(C)C)c2)cc1
Show InChI InChI=1S/C32H38N2O4/c1-5-6-7-10-23-13-16-27(17-14-23)33-31(35)28-19-24-11-8-9-12-26(24)21-34(28)32(36)25-15-18-29(37-4)30(20-25)38-22(2)3/h8-9,11-18,20,22,28H,5-7,10,19,21H2,1-4H3,(H,33,35)/t28-/m0/s1
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n/an/an/an/a 3.5n/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Effective concentration for cellular chloride transport in C127 mouse epithelial cell transfected with recombinant Delta F508 CFTR


Bioorg Med Chem Lett 15: 2087-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.041
BindingDB Entry DOI: 10.7270/Q2J965WP
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
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 (Human))
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 (Human))
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 (Human))
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 (Human))
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 (Human))
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 (Human))
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 (Human))
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 (Human))
BDBM50035581
PNG
(CHEMBL3357141)
Show SMILES CC(C)(C)c1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O
Show InChI InChI=1S/C20H20N2O3/c1-20(2,3)15-9-8-12(10-17(15)23)22-19(25)14-11-21-16-7-5-4-6-13(16)18(14)24/h4-11,23H,1-3H3,(H,21,24)(H,22,25)
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n/an/an/an/a 5n/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Potentiation of human CFTR F508del/G551D mutant in human bronchial epithelial cells by Ussing chambers recording technique


J Med Chem 57: 9776-95 (2014)


Article DOI: 10.1021/jm5012808
BindingDB Entry DOI: 10.7270/Q2TH8P9K
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
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 5.05n/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 (Human))
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 (Human))
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 (Human))
BDBM50164991
PNG
((S)-2-(4-Isopropoxy-pyridine-2-carbonyl)-1,2,3,4-t...)
Show SMILES CCCCCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2cc(OC(C)C)ccn2)cc1
Show InChI InChI=1S/C30H35N3O3/c1-4-5-6-9-22-12-14-25(15-13-22)32-29(34)28-18-23-10-7-8-11-24(23)20-33(28)30(35)27-19-26(16-17-31-27)36-21(2)3/h7-8,10-17,19,21,28H,4-6,9,18,20H2,1-3H3,(H,32,34)/t28-/m0/s1
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n/an/an/an/a 6n/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Effective concentration for cellular chloride transport in C127 mouse epithelial cell transfected with recombinant Delta F508 CFTR


Bioorg Med Chem Lett 15: 2087-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.041
BindingDB Entry DOI: 10.7270/Q2J965WP
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50164965
PNG
((S)-2-(3-Isopropoxy-benzoyl)-1,2,3,4-tetrahydro-is...)
Show SMILES CCCCCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2cccc(OC(C)C)c2)cc1
Show InChI InChI=1S/C31H36N2O3/c1-4-5-6-10-23-15-17-27(18-16-23)32-30(34)29-20-24-11-7-8-12-26(24)21-33(29)31(35)25-13-9-14-28(19-25)36-22(2)3/h7-9,11-19,22,29H,4-6,10,20-21H2,1-3H3,(H,32,34)/t29-/m0/s1
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n/an/an/an/a 6.30n/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Effective concentration for cellular chloride transport in C127 mouse epithelial cell transfected with recombinant Delta F508 CFTR


Bioorg Med Chem Lett 15: 2087-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.041
BindingDB Entry DOI: 10.7270/Q2J965WP
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
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 (Human))
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 (Human))
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 (Human))
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 (Human))
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 (Human))
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
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