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Compile Data Set for Download or QSAR

Found 73 hits with Last Name = 'howsham' and Initial = 'c'   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50363361
PNG
(CHEMBL1945199)
Show SMILES C[N+](C)(CCCCNC(=O)Cc1ccc(OCc2ccccc2)cc1)CCNC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C28H36ClN7O3/c1-36(2,17-15-33-28(38)24-26(30)35-27(31)25(29)34-24)16-7-6-14-32-23(37)18-20-10-12-22(13-11-20)39-19-21-8-4-3-5-9-21/h3-5,8-13H,6-7,14-19H2,1-2H3,(H5-,30,31,32,33,35,37,38)/p+1
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n/an/a 330n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human ERG channel


Bioorg Med Chem Lett 22: 929-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.016
BindingDB Entry DOI: 10.7270/Q26110SH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50363361
PNG
(CHEMBL1945199)
Show SMILES C[N+](C)(CCCCNC(=O)Cc1ccc(OCc2ccccc2)cc1)CCNC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C28H36ClN7O3/c1-36(2,17-15-33-28(38)24-26(30)35-27(31)25(29)34-24)16-7-6-14-32-23(37)18-20-10-12-22(13-11-20)39-19-21-8-4-3-5-9-21/h3-5,8-13H,6-7,14-19H2,1-2H3,(H5-,30,31,32,33,35,37,38)/p+1
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n/an/a 1.08E+4n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel by patch clamp assay


Bioorg Med Chem Lett 22: 929-32 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.016
BindingDB Entry DOI: 10.7270/Q26110SH
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM297396
PNG
(3-Amino-6-bromo-5-trifluoromethyl-pyridine-2-carbo...)
Show SMILES C[C@@](O)(CNC(=O)c1nc(Br)c(cc1N)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C11H10BrF6N3O2/c1-9(23,11(16,17)18)3-20-8(22)6-5(19)2-4(7(12)21-6)10(13,14)15/h2,23H,3,19H2,1H3,(H,20,22)/t9-/m1/s1
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n/an/an/an/a 15n/an/an/an/a



Novartis AG

US Patent


Assay Description
Fischer Rat Thyroid (FRT) epithelial cells, stably expressing human ΔF508-CFTR were used as monolayer cultures on permeable supports. Cl− ...


US Patent US10117858 (2018)


BindingDB Entry DOI: 10.7270/Q2W0980D
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM297397
PNG
(US10117858, Example 10 | US10117858, Example 9 | U...)
Show SMILES CC(O)(CNC(=O)c1nc(-c2ccc(Cl)cc2Cl)c(cc1N)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H13Cl2F6N3O2/c1-15(30,17(23,24)25)6-27-14(29)13-11(26)5-9(16(20,21)22)12(28-13)8-3-2-7(18)4-10(8)19/h2-5,30H,6,26H2,1H3,(H,27,29)
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Novartis AG

US Patent


Assay Description
Fischer Rat Thyroid (FRT) epithelial cells, stably expressing human ΔF508-CFTR were used as monolayer cultures on permeable supports. Cl− ...


US Patent US10117858 (2018)


BindingDB Entry DOI: 10.7270/Q2W0980D
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM297398
PNG
(3-Amino-6-bromo-5-trifluoromethyl-pyridine-2-carbo...)
Show SMILES C[C@](O)(CNC(=O)c1nc(Br)c(cc1N)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C11H10BrF6N3O2/c1-9(23,11(16,17)18)3-20-8(22)6-5(19)2-4(7(12)21-6)10(13,14)15/h2,23H,3,19H2,1H3,(H,20,22)/t9-/m0/s1
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Novartis AG

US Patent


Assay Description
Fischer Rat Thyroid (FRT) epithelial cells, stably expressing human ΔF508-CFTR were used as monolayer cultures on permeable supports. Cl− ...


US Patent US10117858 (2018)


BindingDB Entry DOI: 10.7270/Q2W0980D
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM297397
PNG
(US10117858, Example 10 | US10117858, Example 9 | U...)
Show SMILES CC(O)(CNC(=O)c1nc(-c2ccc(Cl)cc2Cl)c(cc1N)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H13Cl2F6N3O2/c1-15(30,17(23,24)25)6-27-14(29)13-11(26)5-9(16(20,21)22)12(28-13)8-3-2-7(18)4-10(8)19/h2-5,30H,6,26H2,1H3,(H,27,29)
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n/an/an/an/a 112n/an/an/an/a



Novartis AG

US Patent


Assay Description
Fischer Rat Thyroid (FRT) epithelial cells, stably expressing human ΔF508-CFTR were used as monolayer cultures on permeable supports. Cl− ...


US Patent US10117858 (2018)


BindingDB Entry DOI: 10.7270/Q2W0980D
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM297400
PNG
(US10117858, Example 4 | US10117858, Example 6 | US...)
Show SMILES COc1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(F)(F)F
Show InChI InChI=1S/C12H13F6N3O3/c1-10(23,12(16,17)18)4-20-8(22)7-6(19)3-5(11(13,14)15)9(21-7)24-2/h3,23H,4,19H2,1-2H3,(H,20,22)
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Novartis AG

US Patent


Assay Description
Fischer Rat Thyroid (FRT) epithelial cells, stably expressing human ΔF508-CFTR were used as monolayer cultures on permeable supports. Cl− ...


US Patent US10117858 (2018)


BindingDB Entry DOI: 10.7270/Q2W0980D
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM297401
PNG
(3-Amino-6-(4-fluoro-phenyl)-5-trifluoromethyl-pyri...)
Show SMILES CC(C)(O)CNC(=O)c1nc(-c2ccc(F)cc2)c(cc1N)C(F)(F)F
Show InChI InChI=1S/C17H17F4N3O2/c1-16(2,26)8-23-15(25)14-12(22)7-11(17(19,20)21)13(24-14)9-3-5-10(18)6-4-9/h3-7,26H,8,22H2,1-2H3,(H,23,25)
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Novartis AG

US Patent


Assay Description
Fischer Rat Thyroid (FRT) epithelial cells, stably expressing human ΔF508-CFTR were used as monolayer cultures on permeable supports. Cl− ...


US Patent US10117858 (2018)


BindingDB Entry DOI: 10.7270/Q2W0980D
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM297402
PNG
(US10117858, Example 5 | US20240058315, Example 5)
Show SMILES COc1nc(C(=O)NC[C@](C)(O)C(F)(F)F)c(N)cc1C(F)(F)F |r|
Show InChI InChI=1S/C12H13F6N3O3/c1-10(23,12(16,17)18)4-20-8(22)7-6(19)3-5(11(13,14)15)9(21-7)24-2/h3,23H,4,19H2,1-2H3,(H,20,22)/t10-/m0/s1
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Novartis AG

US Patent


Assay Description
Fischer Rat Thyroid (FRT) epithelial cells, stably expressing human ΔF508-CFTR were used as monolayer cultures on permeable supports. Cl− ...


US Patent US10117858 (2018)


BindingDB Entry DOI: 10.7270/Q2W0980D
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM297403
PNG
(3-Amino-6-methoxy-5-trifluoromethyl-pyridine-2-car...)
Show SMILES COc1nc(C(=O)NCC(O)C(F)(F)F)c(N)cc1C(F)(F)F
Show InChI InChI=1S/C11H11F6N3O3/c1-23-9-4(10(12,13)14)2-5(18)7(20-9)8(22)19-3-6(21)11(15,16)17/h2,6,21H,3,18H2,1H3,(H,19,22)
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Novartis AG

US Patent


Assay Description
Fischer Rat Thyroid (FRT) epithelial cells, stably expressing human ΔF508-CFTR were used as monolayer cultures on permeable supports. Cl− ...


US Patent US10117858 (2018)


BindingDB Entry DOI: 10.7270/Q2W0980D
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM297400
PNG
(US10117858, Example 4 | US10117858, Example 6 | US...)
Show SMILES COc1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(F)(F)F
Show InChI InChI=1S/C12H13F6N3O3/c1-10(23,12(16,17)18)4-20-8(22)7-6(19)3-5(11(13,14)15)9(21-7)24-2/h3,23H,4,19H2,1-2H3,(H,20,22)
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n/an/an/an/a 426n/an/an/an/a



Novartis AG

US Patent


Assay Description
Fischer Rat Thyroid (FRT) epithelial cells, stably expressing human ΔF508-CFTR were used as monolayer cultures on permeable supports. Cl− ...


US Patent US10117858 (2018)


BindingDB Entry DOI: 10.7270/Q2W0980D
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM297405
PNG
(5-Amino-6′-methyl-3-trifluoromethyl-[2,3R...)
Show SMILES Cc1ccc(cn1)-c1nc(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)c(N)cc1C(F)(F)F
Show InChI InChI=1S/C17H13F9N4O2/c1-7-2-3-8(5-28-7)11-9(15(18,19)20)4-10(27)12(30-11)13(31)29-6-14(32,16(21,22)23)17(24,25)26/h2-5,32H,6,27H2,1H3,(H,29,31)
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n/an/an/an/a 115n/an/an/an/a



Novartis AG

US Patent


Assay Description
Fischer Rat Thyroid (FRT) epithelial cells, stably expressing human ΔF508-CFTR were used as monolayer cultures on permeable supports. Cl− ...


US Patent US10117858 (2018)


BindingDB Entry DOI: 10.7270/Q2W0980D
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM297407
PNG
(5-Amino-6′-methyl-3-trifluoromethyl-[2,3R...)
Show SMILES Cc1ccc(cn1)-c1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(F)(F)F
Show InChI InChI=1S/C17H16F6N4O2/c1-8-3-4-9(6-25-8)12-10(16(18,19)20)5-11(24)13(27-12)14(28)26-7-15(2,29)17(21,22)23/h3-6,29H,7,24H2,1-2H3,(H,26,28)
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n/an/an/an/a 51n/an/an/an/a



Novartis AG

US Patent


Assay Description
Fischer Rat Thyroid (FRT) epithelial cells, stably expressing human ΔF508-CFTR were used as monolayer cultures on permeable supports. Cl− ...


US Patent US10117858 (2018)


BindingDB Entry DOI: 10.7270/Q2W0980D
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM297408
PNG
(3-Amino-6-(4-fluoro-phenyl)-5-trifluoromethyl-pyri...)
Show SMILES C[C@@](O)(CNC(=O)c1nc(-c2ccc(F)cc2)c(cc1N)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C17H14F7N3O2/c1-15(29,17(22,23)24)7-26-14(28)13-11(25)6-10(16(19,20)21)12(27-13)8-2-4-9(18)5-3-8/h2-6,29H,7,25H2,1H3,(H,26,28)/t15-/m1/s1
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n/an/an/an/a 60n/an/an/an/a



Novartis AG

US Patent


Assay Description
Fischer Rat Thyroid (FRT) epithelial cells, stably expressing human ΔF508-CFTR were used as monolayer cultures on permeable supports. Cl− ...


US Patent US10117858 (2018)


BindingDB Entry DOI: 10.7270/Q2W0980D
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM297409
PNG
(US10117858, Example 16 | US20240058315, Example 17)
Show SMILES C[C@](O)(CNC(=O)c1nc(c(cc1N)C(F)(F)F)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C12H10F9N3O2/c1-9(26,12(19,20)21)3-23-8(25)6-5(22)2-4(10(13,14)15)7(24-6)11(16,17)18/h2,26H,3,22H2,1H3,(H,23,25)/t9-/m0/s1
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n/an/an/an/a 8n/an/an/an/a



Novartis AG

US Patent


Assay Description
Fischer Rat Thyroid (FRT) epithelial cells, stably expressing human ΔF508-CFTR were used as monolayer cultures on permeable supports. Cl− ...


US Patent US10117858 (2018)


BindingDB Entry DOI: 10.7270/Q2W0980D
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM297410
PNG
(US10117858, Example 17)
Show SMILES C[C@@](O)(CNC(=O)c1nc(c(cc1N)C(F)(F)F)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C12H10F9N3O2/c1-9(26,12(19,20)21)3-23-8(25)6-5(22)2-4(10(13,14)15)7(24-6)11(16,17)18/h2,26H,3,22H2,1H3,(H,23,25)/t9-/m1/s1
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n/an/an/an/a 10n/an/an/an/a



Novartis AG

US Patent


Assay Description
Fischer Rat Thyroid (FRT) epithelial cells, stably expressing human ΔF508-CFTR were used as monolayer cultures on permeable supports. Cl− ...


US Patent US10117858 (2018)


BindingDB Entry DOI: 10.7270/Q2W0980D
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM297406
PNG
(3-Amino-6-(4-fluoro-phenyl)-5-trifluoromethyl-pyri...)
Show SMILES C[C@](O)(CNC(=O)c1nc(-c2ccc(F)cc2)c(cc1N)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C17H14F7N3O2/c1-15(29,17(22,23)24)7-26-14(28)13-11(25)6-10(16(19,20)21)12(27-13)8-2-4-9(18)5-3-8/h2-6,29H,7,25H2,1H3,(H,26,28)/t15-/m0/s1
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n/an/an/an/a 40n/an/an/an/a



Novartis AG

US Patent


Assay Description
Fischer Rat Thyroid (FRT) epithelial cells, stably expressing human ΔF508-CFTR were used as monolayer cultures on permeable supports. Cl− ...


US Patent US10117858 (2018)


BindingDB Entry DOI: 10.7270/Q2W0980D
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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n/an/an/an/a 8.20E+3n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential preincubat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581833
PNG
(CHEMBL1949980)
Show SMILES CC(C)c1ccc(NC(=O)C(N(C)C(=O)Cc2c[nH]c3ccccc23)c2ccccc2)cc1
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TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential preincubat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581834
PNG
(CHEMBL5080252)
Show SMILES COC(=O)c1cc(-c2ccco2)c(cc1N)C(F)(F)F
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TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential preincubat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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n/an/an/an/a 8.48E+3n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581833
PNG
(CHEMBL1949980)
Show SMILES CC(C)c1ccc(NC(=O)C(N(C)C(=O)Cc2c[nH]c3ccccc23)c2ccccc2)cc1
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n/an/an/an/a 1.25E+3n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581834
PNG
(CHEMBL5080252)
Show SMILES COC(=O)c1cc(-c2ccco2)c(cc1N)C(F)(F)F
PDB

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n/an/an/an/a 78n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581835
PNG
(CHEMBL5085731)
Show SMILES COC(=O)c1ccc(cc1N)C(F)(F)F
PDB

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n/an/an/an/a 3.78E+3n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581836
PNG
(CHEBI:73244 | METHYL ANTHRANILATE)
Show SMILES COC(=O)c1ccccc1N
PDB

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n/an/an/an/a 3.00E+4n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581837
PNG
(CHEMBL5083598)
Show SMILES COC(=O)c1cc(I)c(cc1N)C(F)(F)F
PDB

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n/an/an/an/a 362n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581838
PNG
(CHEMBL5085939)
Show SMILES COC(=O)c1cc(-c2ncco2)c(cc1N)C(F)(F)F
PDB

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n/an/an/an/a 240n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581839
PNG
(CHEMBL5076850)
Show SMILES COC(=O)c1cc(-c2cccnc2)c(cc1N)C(F)(F)F
PDB

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n/an/an/an/a 329n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581840
PNG
(CHEMBL5091133)
Show SMILES COC(=O)c1cc(C2CCCO2)c(cc1N)C(F)(F)F
PDB

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n/an/an/an/a 462n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581841
PNG
(CHEMBL5085858)
Show SMILES COC(=O)c1nc(-c2ccco2)c(cc1N)C(F)(F)F
PDB

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n/an/an/an/a 5.31E+3n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581842
PNG
(CHEMBL5077730)
Show SMILES Nc1cc(c(cc1C(O)=O)-c1ccco1)C(F)(F)F
PDB

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n/an/an/an/a 5.83E+3n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581843
PNG
(CHEMBL5085049)
Show SMILES CNC(=O)c1cc(-c2ccco2)c(cc1N)C(F)(F)F
PDB

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n/an/an/an/a 1.86E+3n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581844
PNG
(CHEMBL5077005)
Show SMILES CN(C)C(=O)c1cc(-c2ccco2)c(cc1N)C(F)(F)F
PDB

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n/an/an/an/a 3.00E+4n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581845
PNG
(CHEMBL5086285)
Show SMILES CNC(=O)c1nc(Br)c(cc1N)C(F)(F)F
PDB

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n/an/an/an/a 250n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581846
PNG
(CHEMBL5093146)
Show SMILES Nc1cc(c(Br)nc1C(=O)NCCC(F)(F)F)C(F)(F)F
PDB

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n/an/an/an/a 40n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581847
PNG
(CHEMBL5082261)
Show SMILES CC(O)CNC(=O)c1nc(Br)c(cc1N)C(F)(F)F
PDB

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n/an/an/an/a 70n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581848
PNG
(CHEMBL5081202)
Show SMILES Nc1cc(c(Br)nc1C(=O)NC[C@H](O)C(F)(F)F)C(F)(F)F |r|
PDB

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n/an/an/an/a 23n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581849
PNG
(CHEMBL5087757)
Show SMILES Nc1cc(c(Br)nc1C(=O)NC[C@@H](O)C(F)(F)F)C(F)(F)F |r|
PDB

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n/an/an/an/a 9n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM297398
PNG
(3-Amino-6-bromo-5-trifluoromethyl-pyridine-2-carbo...)
Show SMILES C[C@](O)(CNC(=O)c1nc(Br)c(cc1N)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C11H10BrF6N3O2/c1-9(23,11(16,17)18)3-20-8(22)6-5(19)2-4(7(12)21-6)10(13,14)15/h2,23H,3,19H2,1H3,(H,20,22)/t9-/m0/s1
PDB

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n/an/an/an/a 15n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM297396
PNG
(3-Amino-6-bromo-5-trifluoromethyl-pyridine-2-carbo...)
Show SMILES C[C@@](O)(CNC(=O)c1nc(Br)c(cc1N)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C11H10BrF6N3O2/c1-9(23,11(16,17)18)3-20-8(22)6-5(19)2-4(7(12)21-6)10(13,14)15/h2,23H,3,19H2,1H3,(H,20,22)/t9-/m1/s1
PDB

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n/an/an/an/a 30n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581850
PNG
(CHEMBL5071764)
Show SMILES CC(C)(O)CNC(=O)c1nc(Br)c(cc1N)C(F)(F)F
PDB

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n/an/an/an/a 77n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581851
PNG
(CHEMBL5075860)
Show SMILES Nc1cc(c(Br)nc1C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C(F)(F)F
PDB

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n/an/an/an/a 10n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581852
PNG
(CHEMBL5079547)
Show SMILES CC(O)(CNC(=O)c1ncc(cc1N)C(F)(F)F)C(F)(F)F
PDB

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n/an/an/an/a 229n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581853
PNG
(CHEMBL5083308)
Show SMILES Cc1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(F)(F)F
PDB

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n/an/an/an/a 240n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581854
PNG
(CHEMBL5076312)
Show SMILES CCc1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(F)(F)F
PDB

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n/an/an/an/a 8n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581854
PNG
(CHEMBL5076312)
Show SMILES CCc1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(F)(F)F
PDB

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n/an/an/an/a 8n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM297409
PNG
(US10117858, Example 16 | US20240058315, Example 17)
Show SMILES C[C@](O)(CNC(=O)c1nc(c(cc1N)C(F)(F)F)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C12H10F9N3O2/c1-9(26,12(19,20)21)3-23-8(25)6-5(22)2-4(10(13,14)15)7(24-6)11(16,17)18/h2,26H,3,22H2,1H3,(H,23,25)/t9-/m0/s1
PDB

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n/an/an/an/a 9n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581855
PNG
(CHEMBL5075105)
Show SMILES CNc1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(F)(F)F
PDB

UniProtKB/SwissProt

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n/an/an/an/a 276n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581855
PNG
(CHEMBL5075105)
Show SMILES CNc1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(F)(F)F
PDB

UniProtKB/SwissProt

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n/an/an/an/a 276n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50581856
PNG
(CHEMBL5082569)
Show SMILES CN(C)c1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(F)(F)F
PDB

UniProtKB/SwissProt

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n/an/an/an/a 20n/an/an/an/a


TBA

Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G
More data for this
Ligand-Target Pair
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