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Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with Target = 'CFTR F508del'   
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
CFTR F508del


(Homo sapiens (Human))
BDBM160512
PNG
(US10280160, Example 6. | US9682969, 4 | US9682969,...)
Show SMILES COc1ccc2c(nn(CC(=O)N(C)c3ccc4nc(C)oc4c3)c(=O)c2c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H21ClN4O4/c1-15-28-22-10-7-18(12-23(22)35-15)30(2)24(32)14-31-26(33)21-13-19(34-3)8-9-20(21)25(29-31)16-5-4-6-17(27)11-16/h4-13H,14H2,1-3H3
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n/an/an/an/a<1.00E+4n/an/an/an/a



Flatley Discovery Lab LLC

US Patent


Assay Description
This protocol is designed to selectively screen small molecule compounds for F508del CFTR corrector activities in the YFP (yellow fluorescent protein...


US Patent US9682969 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ8XKT
More data for this
Ligand-Target Pair
CFTR F508del


(Homo sapiens (Human))
BDBM160531
PNG
(US10280160, Example 24. | US9682969, 23 | US968296...)
Show SMILES CN(C(=O)Cn1nc(-c2cccc(Cl)c2)c2ccc(OCC3CC3)cc2c1=O)c1ccc2nc(C)oc2c1
Show InChI InChI=1S/C29H25ClN4O4/c1-17-31-25-11-8-21(13-26(25)38-17)33(2)27(35)15-34-29(36)24-14-22(37-16-18-6-7-18)9-10-23(24)28(32-34)19-4-3-5-20(30)12-19/h3-5,8-14,18H,6-7,15-16H2,1-2H3
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n/an/an/an/a<1.00E+4n/an/an/an/a



Flatley Discovery Lab LLC

US Patent


Assay Description
This protocol is designed to selectively screen small molecule compounds for F508del CFTR corrector activities in the YFP (yellow fluorescent protein...


US Patent US9682969 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ8XKT
More data for this
Ligand-Target Pair
CFTR F508del


(Homo sapiens (Human))
BDBM160536
PNG
(US10280160, Example 28. | US9682969, 28)
Show SMILES CN(C(=O)Cn1nc(-c2cccc(F)c2)c2ccc(OC3CCCCC3)cc2c1=O)c1ccc2nc(C)oc2c1
Show InChI InChI=1S/C31H29FN4O4/c1-19-33-27-14-11-22(16-28(27)39-19)35(2)29(37)18-36-31(38)26-17-24(40-23-9-4-3-5-10-23)12-13-25(26)30(34-36)20-7-6-8-21(32)15-20/h6-8,11-17,23H,3-5,9-10,18H2,1-2H3
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n/an/an/an/a<1.00E+4n/an/an/an/a



Flatley Discovery Lab LLC

US Patent


Assay Description
This protocol is designed to selectively screen small molecule compounds for F508del CFTR corrector activities in the YFP (yellow fluorescent protein...


US Patent US9682969 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ8XKT
More data for this
Ligand-Target Pair
CFTR F508del


(Homo sapiens (Human))
BDBM160535
PNG
(US10280160, Example 27. | US9682969, 27)
Show SMILES CN(C(=O)Cn1nc(-c2cccc(F)c2)c2ccc(OC3CCOCC3)cc2c1=O)c1ccc2nc(C)oc2c1
Show InChI InChI=1S/C30H27FN4O5/c1-18-32-26-9-6-21(15-27(26)39-18)34(2)28(36)17-35-30(37)25-16-23(40-22-10-12-38-13-11-22)7-8-24(25)29(33-35)19-4-3-5-20(31)14-19/h3-9,14-16,22H,10-13,17H2,1-2H3
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Flatley Discovery Lab LLC

US Patent


Assay Description
This protocol is designed to selectively screen small molecule compounds for F508del CFTR corrector activities in the YFP (yellow fluorescent protein...


US Patent US9682969 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ8XKT
More data for this
Ligand-Target Pair
CFTR F508del


(Homo sapiens (Human))
BDBM160534
PNG
(US10280160, Example 26. | US9682969, 26)
Show SMILES CN(C(=O)Cn1nc(-c2cccc(Cl)c2)c2ccc(OC3CCCCC3)cc2c1=O)c1ccc2nc(C)oc2c1
Show InChI InChI=1S/C31H29ClN4O4/c1-19-33-27-14-11-22(16-28(27)39-19)35(2)29(37)18-36-31(38)26-17-24(40-23-9-4-3-5-10-23)12-13-25(26)30(34-36)20-7-6-8-21(32)15-20/h6-8,11-17,23H,3-5,9-10,18H2,1-2H3
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n/an/an/an/a<1.00E+4n/an/an/an/a



Flatley Discovery Lab LLC

US Patent


Assay Description
This protocol is designed to selectively screen small molecule compounds for F508del CFTR corrector activities in the YFP (yellow fluorescent protein...


US Patent US9682969 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ8XKT
More data for this
Ligand-Target Pair
CFTR F508del


(Homo sapiens (Human))
BDBM160528
PNG
(US10280160, Example 25. | US9682969, 20 | US968296...)
Show SMILES CC(C)Oc1ccc2c(nn(CC(=O)N(C)c3ccc4nc(C)oc4c3)c(=O)c2c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H25ClN4O4/c1-16(2)36-21-9-10-22-23(14-21)28(35)33(31-27(22)18-6-5-7-19(29)12-18)15-26(34)32(4)20-8-11-24-25(13-20)37-17(3)30-24/h5-14,16H,15H2,1-4H3
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Flatley Discovery Lab LLC

US Patent


Assay Description
This protocol is designed to selectively screen small molecule compounds for F508del CFTR corrector activities in the YFP (yellow fluorescent protein...


US Patent US9682969 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ8XKT
More data for this
Ligand-Target Pair
CFTR F508del


(Homo sapiens (Human))
BDBM160515
PNG
(US10280160, Example 9. | US9682969, 7 | US9682969,...)
Show SMILES CCN(C(=O)Cn1nc(-c2cccc(Cl)c2)c2ccc(OC)cc2c1=O)c1ccc2nc(C)oc2c1
Show InChI InChI=1S/C27H23ClN4O4/c1-4-31(19-8-11-23-24(13-19)36-16(2)29-23)25(33)15-32-27(34)22-14-20(35-3)9-10-21(22)26(30-32)17-6-5-7-18(28)12-17/h5-14H,4,15H2,1-3H3
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Flatley Discovery Lab LLC

US Patent


Assay Description
This protocol is designed to selectively screen small molecule compounds for F508del CFTR corrector activities in the YFP (yellow fluorescent protein...


US Patent US9682969 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ8XKT
More data for this
Ligand-Target Pair
CFTR F508del


(Homo sapiens (Human))
BDBM160516
PNG
(US10280160, Example 8. | US9682969, 8)
Show SMILES CCN(C(=O)Cn1nc(-c2cccc(F)c2)c2ccc(OC)cc2c1=O)c1ccc2nc(C)oc2c1
Show InChI InChI=1S/C27H23FN4O4/c1-4-31(19-8-11-23-24(13-19)36-16(2)29-23)25(33)15-32-27(34)22-14-20(35-3)9-10-21(22)26(30-32)17-6-5-7-18(28)12-17/h5-14H,4,15H2,1-3H3
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Flatley Discovery Lab LLC

US Patent


Assay Description
This protocol is designed to selectively screen small molecule compounds for F508del CFTR corrector activities in the YFP (yellow fluorescent protein...


US Patent US9682969 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ8XKT
More data for this
Ligand-Target Pair
CFTR F508del


(Homo sapiens (Human))
BDBM160515
PNG
(US10280160, Example 9. | US9682969, 7 | US9682969,...)
Show SMILES CCN(C(=O)Cn1nc(-c2cccc(Cl)c2)c2ccc(OC)cc2c1=O)c1ccc2nc(C)oc2c1
Show InChI InChI=1S/C27H23ClN4O4/c1-4-31(19-8-11-23-24(13-19)36-16(2)29-23)25(33)15-32-27(34)22-14-20(35-3)9-10-21(22)26(30-32)17-6-5-7-18(28)12-17/h5-14H,4,15H2,1-3H3
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Flatley Discovery Lab LLC

US Patent


Assay Description
This protocol is designed to selectively screen small molecule compounds for F508del CFTR corrector activities in the YFP (yellow fluorescent protein...


US Patent US9682969 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ8XKT
More data for this
Ligand-Target Pair
CFTR F508del


(Homo sapiens (Human))
BDBM160546
PNG
(US10280160, Example 31. | US9682969, 31)
Show SMILES CCOc1cc2c(cc1Cl)c(nn(CC(=O)N(C)c1ccc3nc(C)oc3c1)c2=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C27H22Cl2N4O4/c1-4-36-23-13-20-19(12-21(23)29)26(16-6-5-7-17(28)10-16)31-33(27(20)35)14-25(34)32(3)18-8-9-22-24(11-18)37-15(2)30-22/h5-13H,4,14H2,1-3H3
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Flatley Discovery Lab LLC

US Patent


Assay Description
This protocol is designed to selectively screen small molecule compounds for F508del CFTR corrector activities in the YFP (yellow fluorescent protein...


US Patent US9682969 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ8XKT
More data for this
Ligand-Target Pair
CFTR F508del


(Homo sapiens (Human))
BDBM160519
PNG
(US10280160, Example 11. | US9682969, 11)
Show SMILES COc1cc2c(cc1Cl)c(nn(CC(=O)N(C)c1ccc3nc(C)oc3c1)c2=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H20Cl2N4O4/c1-14-29-21-8-7-17(10-23(21)36-14)31(2)24(33)13-32-26(34)19-12-22(35-3)20(28)11-18(19)25(30-32)15-5-4-6-16(27)9-15/h4-12H,13H2,1-3H3
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Flatley Discovery Lab LLC

US Patent


Assay Description
This protocol is designed to selectively screen small molecule compounds for F508del CFTR corrector activities in the YFP (yellow fluorescent protein...


US Patent US9682969 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ8XKT
More data for this
Ligand-Target Pair
CFTR F508del


(Homo sapiens (Human))
BDBM160520
PNG
(US10280160, Example 12. | US9682969, 12)
Show SMILES COc1ccc2c(nn(CC(=O)N(C3CC3)c3ccc4nc(C)oc4c3)c(=O)c2c1)-c1cccc(F)c1
Show InChI InChI=1S/C28H23FN4O4/c1-16-30-24-11-8-20(13-25(24)37-16)33(19-6-7-19)26(34)15-32-28(35)23-14-21(36-2)9-10-22(23)27(31-32)17-4-3-5-18(29)12-17/h3-5,8-14,19H,6-7,15H2,1-2H3
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Flatley Discovery Lab LLC

US Patent


Assay Description
This protocol is designed to selectively screen small molecule compounds for F508del CFTR corrector activities in the YFP (yellow fluorescent protein...


US Patent US9682969 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ8XKT
More data for this
Ligand-Target Pair
CFTR F508del


(Homo sapiens (Human))
BDBM160521
PNG
(US10280160, Example 13. | US9682969, 13)
Show SMILES CN(C(=O)Cn1nc(-c2cccc(F)c2)c2ccc(O)cc2c1=O)c1ccc2nc(C)oc2c1
Show InChI InChI=1S/C25H19FN4O4/c1-14-27-21-9-6-17(11-22(21)34-14)29(2)23(32)13-30-25(33)20-12-18(31)7-8-19(20)24(28-30)15-4-3-5-16(26)10-15/h3-12,31H,13H2,1-2H3
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Flatley Discovery Lab LLC

US Patent


Assay Description
This protocol is designed to selectively screen small molecule compounds for F508del CFTR corrector activities in the YFP (yellow fluorescent protein...


US Patent US9682969 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ8XKT
More data for this
Ligand-Target Pair
CFTR F508del


(Homo sapiens (Human))
BDBM160509
PNG
(US10280160, Example 1. | US9682969, 1)
Show SMILES CN(C(=O)Cn1nc(-c2cccc(Cl)c2)c2ccccc2c1=O)c1ccc2nc(C)oc2c1
Show InChI InChI=1S/C25H19ClN4O3/c1-15-27-21-11-10-18(13-22(21)33-15)29(2)23(31)14-30-25(32)20-9-4-3-8-19(20)24(28-30)16-6-5-7-17(26)12-16/h3-13H,14H2,1-2H3
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Flatley Discovery Lab LLC

US Patent


Assay Description
This protocol is designed to selectively screen small molecule compounds for F508del CFTR corrector activities in the YFP (yellow fluorescent protein...


US Patent US9682969 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ8XKT
More data for this
Ligand-Target Pair
CFTR F508del


(Homo sapiens (Human))
BDBM160523
PNG
(US10280160, Example 15. | US9682969, 15)
Show SMILES Cc1nc2ccc(cc2o1)N(C1CC1)C(=O)Cn1nc(-c2cccc(Cl)c2)c2ccc(O)cc2c1=O
Show InChI InChI=1S/C27H21ClN4O4/c1-15-29-23-10-7-19(12-24(23)36-15)32(18-5-6-18)25(34)14-31-27(35)22-13-20(33)8-9-21(22)26(30-31)16-3-2-4-17(28)11-16/h2-4,7-13,18,33H,5-6,14H2,1H3
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Flatley Discovery Lab LLC

US Patent


Assay Description
This protocol is designed to selectively screen small molecule compounds for F508del CFTR corrector activities in the YFP (yellow fluorescent protein...


US Patent US9682969 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ8XKT
More data for this
Ligand-Target Pair
CFTR F508del


(Homo sapiens (Human))
BDBM160524
PNG
(US10280160, Example 16. | US9682969, 16)
Show SMILES CN(C(=O)Cn1nc(-c2cccc(Cl)c2)c2ccc(O)cc2c1=O)c1ccc2nc(C)oc2c1
Show InChI InChI=1S/C25H19ClN4O4/c1-14-27-21-9-6-17(11-22(21)34-14)29(2)23(32)13-30-25(33)20-12-18(31)7-8-19(20)24(28-30)15-4-3-5-16(26)10-15/h3-12,31H,13H2,1-2H3
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Flatley Discovery Lab LLC

US Patent


Assay Description
This protocol is designed to selectively screen small molecule compounds for F508del CFTR corrector activities in the YFP (yellow fluorescent protein...


US Patent US9682969 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ8XKT
More data for this
Ligand-Target Pair
CFTR F508del


(Homo sapiens (Human))
BDBM160525
PNG
(US10280160, Example 22. | US9682969, 17 | US968296...)
Show SMILES CCOc1ccc2c(nn(CC(=O)N(C)c3ccc4nc(C)oc4c3)c(=O)c2c1)-c1cccc(F)c1
Show InChI InChI=1S/C27H23FN4O4/c1-4-35-20-9-10-21-22(14-20)27(34)32(30-26(21)17-6-5-7-18(28)12-17)15-25(33)31(3)19-8-11-23-24(13-19)36-16(2)29-23/h5-14H,4,15H2,1-3H3
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Flatley Discovery Lab LLC

US Patent


Assay Description
This protocol is designed to selectively screen small molecule compounds for F508del CFTR corrector activities in the YFP (yellow fluorescent protein...


US Patent US9682969 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ8XKT
More data for this
Ligand-Target Pair
CFTR F508del


(Homo sapiens (Human))
BDBM160526
PNG
(US10280160, Example 18. | US9682969, 18)
Show SMILES CCOc1ccc2c(nn(CC(=O)N(C3CC3)c3ccc4nc(C)oc4c3)c(=O)c2c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C29H25ClN4O4/c1-3-37-22-10-11-23-24(15-22)29(36)33(32-28(23)18-5-4-6-19(30)13-18)16-27(35)34(20-7-8-20)21-9-12-25-26(14-21)38-17(2)31-25/h4-6,9-15,20H,3,7-8,16H2,1-2H3
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Flatley Discovery Lab LLC

US Patent


Assay Description
This protocol is designed to selectively screen small molecule compounds for F508del CFTR corrector activities in the YFP (yellow fluorescent protein...


US Patent US9682969 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ8XKT
More data for this
Ligand-Target Pair
CFTR F508del


(Homo sapiens (Human))
BDBM160527
PNG
(US10280160, Example 19. | US9682969, 19)
Show SMILES CCOc1ccc2c(nn(CC(=O)N(C)c3ccc4nc(C)oc4c3)c(=O)c2c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C27H23ClN4O4/c1-4-35-20-9-10-21-22(14-20)27(34)32(30-26(21)17-6-5-7-18(28)12-17)15-25(33)31(3)19-8-11-23-24(13-19)36-16(2)29-23/h5-14H,4,15H2,1-3H3
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Flatley Discovery Lab LLC

US Patent


Assay Description
This protocol is designed to selectively screen small molecule compounds for F508del CFTR corrector activities in the YFP (yellow fluorescent protein...


US Patent US9682969 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ8XKT
More data for this
Ligand-Target Pair
CFTR F508del


(Homo sapiens (Human))
BDBM160512
PNG
(US10280160, Example 6. | US9682969, 4 | US9682969,...)
Show SMILES COc1ccc2c(nn(CC(=O)N(C)c3ccc4nc(C)oc4c3)c(=O)c2c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H21ClN4O4/c1-15-28-22-10-7-18(12-23(22)35-15)30(2)24(32)14-31-26(33)21-13-19(34-3)8-9-20(21)25(29-31)16-5-4-6-17(27)11-16/h4-13H,14H2,1-3H3
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Flatley Discovery Lab LLC

US Patent


Assay Description
This protocol is designed to selectively screen small molecule compounds for F508del CFTR corrector activities in the YFP (yellow fluorescent protein...


US Patent US9682969 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ8XKT
More data for this
Ligand-Target Pair
CFTR F508del


(Homo sapiens (Human))
BDBM160529
PNG
(US10280160, Example 21. | US9682969, 21)
Show SMILES CCOc1ccc2c(nn(CC(=O)N(C3CC3)c3ccc4nc(C)oc4c3)c(=O)c2c1)-c1cccc(F)c1
Show InChI InChI=1S/C29H25FN4O4/c1-3-37-22-10-11-23-24(15-22)29(36)33(32-28(23)18-5-4-6-19(30)13-18)16-27(35)34(20-7-8-20)21-9-12-25-26(14-21)38-17(2)31-25/h4-6,9-15,20H,3,7-8,16H2,1-2H3
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Flatley Discovery Lab LLC

US Patent


Assay Description
This protocol is designed to selectively screen small molecule compounds for F508del CFTR corrector activities in the YFP (yellow fluorescent protein...


US Patent US9682969 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ8XKT
More data for this
Ligand-Target Pair
CFTR F508del


(Homo sapiens (Human))
BDBM160525
PNG
(US10280160, Example 22. | US9682969, 17 | US968296...)
Show SMILES CCOc1ccc2c(nn(CC(=O)N(C)c3ccc4nc(C)oc4c3)c(=O)c2c1)-c1cccc(F)c1
Show InChI InChI=1S/C27H23FN4O4/c1-4-35-20-9-10-21-22(14-20)27(34)32(30-26(21)17-6-5-7-18(28)12-17)15-25(33)31(3)19-8-11-23-24(13-19)36-16(2)29-23/h5-14H,4,15H2,1-3H3
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n/an/an/an/a<1.00E+4n/an/an/an/a



Flatley Discovery Lab LLC

US Patent


Assay Description
This protocol is designed to selectively screen small molecule compounds for F508del CFTR corrector activities in the YFP (yellow fluorescent protein...


US Patent US9682969 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ8XKT
More data for this
Ligand-Target Pair
CFTR F508del


(Homo sapiens (Human))
BDBM160513
PNG
(US10280160, Example 5. | US9682969, 5)
Show SMILES COc1ccc2c(nn(CC(=O)N(C3CC3)c3ccc4nc(C)oc4c3)c(=O)c2c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H23ClN4O4/c1-16-30-24-11-8-20(13-25(24)37-16)33(19-6-7-19)26(34)15-32-28(35)23-14-21(36-2)9-10-22(23)27(31-32)17-4-3-5-18(29)12-17/h3-5,8-14,19H,6-7,15H2,1-2H3
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n/an/an/an/a<1.00E+4n/an/an/an/a



Flatley Discovery Lab LLC

US Patent


Assay Description
This protocol is designed to selectively screen small molecule compounds for F508del CFTR corrector activities in the YFP (yellow fluorescent protein...


US Patent US9682969 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ8XKT
More data for this
Ligand-Target Pair
CFTR F508del


(Homo sapiens (Human))
BDBM160537
PNG
(US10280160, Example 29. | US9682969, 29)
Show SMILES CN(C(=O)Cn1nc(-c2cccc(Cl)c2)c2ccc(OC3CCOCC3)cc2c1=O)c1ccc2nc(C)oc2c1
Show InChI InChI=1S/C30H27ClN4O5/c1-18-32-26-9-6-21(15-27(26)39-18)34(2)28(36)17-35-30(37)25-16-23(40-22-10-12-38-13-11-22)7-8-24(25)29(33-35)19-4-3-5-20(31)14-19/h3-9,14-16,22H,10-13,17H2,1-2H3
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n/an/an/an/a<1.00E+4n/an/an/an/a



Flatley Discovery Lab LLC

US Patent


Assay Description
This protocol is designed to selectively screen small molecule compounds for F508del CFTR corrector activities in the YFP (yellow fluorescent protein...


US Patent US9682969 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ8XKT
More data for this
Ligand-Target Pair
CFTR F508del


(Homo sapiens (Human))
BDBM160545
PNG
(US10280160, Example 30. | US9682969, 30)
Show SMILES CCOc1cc2c(cc1Cl)c(nn(CC(=O)N(C)c1ccc3nc(C)oc3c1)c2=O)-c1cccc(F)c1
Show InChI InChI=1S/C27H22ClFN4O4/c1-4-36-23-13-20-19(12-21(23)28)26(16-6-5-7-17(29)10-16)31-33(27(20)35)14-25(34)32(3)18-8-9-22-24(11-18)37-15(2)30-22/h5-13H,4,14H2,1-3H3
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n/an/an/an/a 1.50E+4n/an/an/an/a



Flatley Discovery Lab LLC

US Patent


Assay Description
This protocol is designed to selectively screen small molecule compounds for F508del CFTR corrector activities in the YFP (yellow fluorescent protein...


US Patent US9682969 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ8XKT
More data for this
Ligand-Target Pair
CFTR F508del


(Homo sapiens (Human))
BDBM160531
PNG
(US10280160, Example 24. | US9682969, 23 | US968296...)
Show SMILES CN(C(=O)Cn1nc(-c2cccc(Cl)c2)c2ccc(OCC3CC3)cc2c1=O)c1ccc2nc(C)oc2c1
Show InChI InChI=1S/C29H25ClN4O4/c1-17-31-25-11-8-21(13-26(25)38-17)33(2)27(35)15-34-29(36)24-14-22(37-16-18-6-7-18)9-10-23(24)28(32-34)19-4-3-5-20(30)12-19/h3-5,8-14,18H,6-7,15-16H2,1-2H3
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n/an/an/an/a 1.50E+4n/an/an/an/a



Flatley Discovery Lab LLC

US Patent


Assay Description
This protocol is designed to selectively screen small molecule compounds for F508del CFTR corrector activities in the YFP (yellow fluorescent protein...


US Patent US9682969 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ8XKT
More data for this
Ligand-Target Pair
CFTR F508del


(Homo sapiens (Human))
BDBM160528
PNG
(US10280160, Example 25. | US9682969, 20 | US968296...)
Show SMILES CC(C)Oc1ccc2c(nn(CC(=O)N(C)c3ccc4nc(C)oc4c3)c(=O)c2c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H25ClN4O4/c1-16(2)36-21-9-10-22-23(14-21)28(35)33(31-27(22)18-6-5-7-19(29)12-18)15-26(34)32(4)20-8-11-24-25(13-20)37-17(3)30-24/h5-14,16H,15H2,1-4H3
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n/an/an/an/a 1.50E+4n/an/an/an/a



Flatley Discovery Lab LLC

US Patent


Assay Description
This protocol is designed to selectively screen small molecule compounds for F508del CFTR corrector activities in the YFP (yellow fluorescent protein...


US Patent US9682969 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ8XKT
More data for this
Ligand-Target Pair
CFTR F508del


(Homo sapiens (Human))
BDBM160522
PNG
(US10280160, Example 14. | US9682969, 14)
Show SMILES Cc1nc2ccc(cc2o1)N(C1CC1)C(=O)Cn1nc(-c2cccc(F)c2)c2ccc(O)cc2c1=O
Show InChI InChI=1S/C27H21FN4O4/c1-15-29-23-10-7-19(12-24(23)36-15)32(18-5-6-18)25(34)14-31-27(35)22-13-20(33)8-9-21(22)26(30-31)16-3-2-4-17(28)11-16/h2-4,7-13,18,33H,5-6,14H2,1H3
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n/an/an/an/a 1.50E+4n/an/an/an/a



Flatley Discovery Lab LLC

US Patent


Assay Description
This protocol is designed to selectively screen small molecule compounds for F508del CFTR corrector activities in the YFP (yellow fluorescent protein...


US Patent US9682969 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ8XKT
More data for this
Ligand-Target Pair
CFTR F508del


(Homo sapiens (Human))
BDBM160518
PNG
(US10280160, Example 10. | US9682969, 10)
Show SMILES COc1cc2c(cc1Cl)c(nn(CC(=O)N(C)c1ccc3nc(C)oc3c1)c2=O)-c1cccc(F)c1
Show InChI InChI=1S/C26H20ClFN4O4/c1-14-29-21-8-7-17(10-23(21)36-14)31(2)24(33)13-32-26(34)19-12-22(35-3)20(27)11-18(19)25(30-32)15-5-4-6-16(28)9-15/h4-12H,13H2,1-3H3
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Flatley Discovery Lab LLC

US Patent


Assay Description
This protocol is designed to selectively screen small molecule compounds for F508del CFTR corrector activities in the YFP (yellow fluorescent protein...


US Patent US9682969 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ8XKT
More data for this
Ligand-Target Pair
CFTR F508del


(Homo sapiens (Human))
BDBM160511
PNG
(US10280160, Example 3. | US9682969, 3)
Show SMILES COc1ccc2c(nn(CC(=O)N(C)c3ccc4nc(C)oc4c3)c(=O)c2c1)-c1cccc(F)c1
Show InChI InChI=1S/C26H21FN4O4/c1-15-28-22-10-7-18(12-23(22)35-15)30(2)24(32)14-31-26(33)21-13-19(34-3)8-9-20(21)25(29-31)16-5-4-6-17(27)11-16/h4-13H,14H2,1-3H3
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n/an/an/an/a 1.50E+4n/an/an/an/a



Flatley Discovery Lab LLC

US Patent


Assay Description
This protocol is designed to selectively screen small molecule compounds for F508del CFTR corrector activities in the YFP (yellow fluorescent protein...


US Patent US9682969 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ8XKT
More data for this
Ligand-Target Pair
CFTR F508del


(Homo sapiens (Human))
BDBM160510
PNG
(US10280160, Example 2. | US9682969, 2)
Show SMILES CN(C(=O)Cn1nc(-c2cccc(F)c2)c2ccccc2c1=O)c1ccc2nc(C)oc2c1
Show InChI InChI=1S/C25H19FN4O3/c1-15-27-21-11-10-18(13-22(21)33-15)29(2)23(31)14-30-25(32)20-9-4-3-8-19(20)24(28-30)16-6-5-7-17(26)12-16/h3-13H,14H2,1-2H3
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n/an/an/an/a 1.50E+4n/an/an/an/a



Flatley Discovery Lab LLC

US Patent


Assay Description
This protocol is designed to selectively screen small molecule compounds for F508del CFTR corrector activities in the YFP (yellow fluorescent protein...


US Patent US9682969 (2017)


BindingDB Entry DOI: 10.7270/Q2SQ8XKT
More data for this
Ligand-Target Pair