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PubMed code 28099811

Compile data set for download or QSAR
Found 23 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50232949
PNG
(CHEMBL4100901)
Show SMILES CCN(CC)c1nc(Nc2ccccc2)nc(OC(C(F)(F)F)C(F)(F)F)n1
Show InChI InChI=1S/C16H17F6N5O/c1-3-27(4-2)13-24-12(23-10-8-6-5-7-9-10)25-14(26-13)28-11(15(17,18)19)16(20,21)22/h5-9,11H,3-4H2,1-2H3,(H,23,24,25,26)
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n/an/an/an/a 240n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP assessed as increase in forskolin-stimulated iodide influx measured after 10 mins f...


J Med Chem 60: 1210-1218 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01792
BindingDB Entry DOI: 10.7270/Q2ZC8540
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50232967
PNG
(CHEMBL4104898)
Show SMILES CCN(CC)c1nc(Nc2ccc3ncoc3c2)nc(OC(C(F)(F)F)C(F)(F)F)n1
Show InChI InChI=1S/C17H16F6N6O2/c1-3-29(4-2)14-26-13(25-9-5-6-10-11(7-9)30-8-24-10)27-15(28-14)31-12(16(18,19)20)17(21,22)23/h5-8,12H,3-4H2,1-2H3,(H,25,26,27,28)
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n/an/an/an/a 150n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP assessed as increase in forskolin-stimulated iodide influx measured after 10 mins f...


J Med Chem 60: 1210-1218 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01792
BindingDB Entry DOI: 10.7270/Q2ZC8540
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50232952
PNG
(CHEMBL4084446)
Show SMILES CCN(CC)c1nc(Nc2cccc(Cl)c2)nc(OCC(F)(F)C(F)F)n1
Show InChI InChI=1S/C16H18ClF4N5O/c1-3-26(4-2)14-23-13(22-11-7-5-6-10(17)8-11)24-15(25-14)27-9-16(20,21)12(18)19/h5-8,12H,3-4,9H2,1-2H3,(H,22,23,24,25)
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n/an/an/an/a 5.40E+3n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP assessed as increase in forskolin-stimulated iodide influx measured after 10 mins f...


J Med Chem 60: 1210-1218 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01792
BindingDB Entry DOI: 10.7270/Q2ZC8540
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50232947
PNG
(CHEMBL4097540)
Show SMILES CCN(CC)c1nc(Nc2ccc(F)cc2)nc(OCC(F)(F)C(F)F)n1
Show InChI InChI=1S/C16H18F5N5O/c1-3-26(4-2)14-23-13(22-11-7-5-10(17)6-8-11)24-15(25-14)27-9-16(20,21)12(18)19/h5-8,12H,3-4,9H2,1-2H3,(H,22,23,24,25)
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n/an/an/an/a 4.80E+3n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP assessed as increase in forskolin-stimulated iodide influx measured after 10 mins f...


J Med Chem 60: 1210-1218 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01792
BindingDB Entry DOI: 10.7270/Q2ZC8540
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50232950
PNG
(CHEMBL4093184)
Show SMILES CCN(CC)c1nc(Nc2ccc(F)cc2)nc(OC(C(F)(F)F)C(F)(F)F)n1
Show InChI InChI=1S/C16H16F7N5O/c1-3-28(4-2)13-25-12(24-10-7-5-9(17)6-8-10)26-14(27-13)29-11(15(18,19)20)16(21,22)23/h5-8,11H,3-4H2,1-2H3,(H,24,25,26,27)
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n/an/an/an/a 700n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP assessed as increase in forskolin-stimulated iodide influx measured after 10 mins f...


J Med Chem 60: 1210-1218 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01792
BindingDB Entry DOI: 10.7270/Q2ZC8540
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50232958
PNG
(CHEMBL4067285)
Show SMILES CCN(CC)c1nc(Nc2ccc3cn[nH]c3c2)nc(OC(C(F)(F)F)C(F)(F)F)n1
Show InChI InChI=1S/C17H17F6N7O/c1-3-30(4-2)14-26-13(25-10-6-5-9-8-24-29-11(9)7-10)27-15(28-14)31-12(16(18,19)20)17(21,22)23/h5-8,12H,3-4H2,1-2H3,(H,24,29)(H,25,26,27,28)
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n/an/an/an/a 900n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP assessed as increase in forskolin-stimulated iodide influx measured after 10 mins f...


J Med Chem 60: 1210-1218 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01792
BindingDB Entry DOI: 10.7270/Q2ZC8540
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50232951
PNG
(CHEMBL4092200)
Show SMILES CCN(CC)c1nc(Nc2ccc(cc2)C(O)=O)nc(OC(C(F)(F)F)C(F)(F)F)n1
Show InChI InChI=1S/C17H17F6N5O3/c1-3-28(4-2)14-25-13(24-10-7-5-9(6-8-10)11(29)30)26-15(27-14)31-12(16(18,19)20)17(21,22)23/h5-8,12H,3-4H2,1-2H3,(H,29,30)(H,24,25,26,27)
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n/an/an/an/a 900n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP assessed as increase in forskolin-stimulated iodide influx measured after 10 mins f...


J Med Chem 60: 1210-1218 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01792
BindingDB Entry DOI: 10.7270/Q2ZC8540
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50232955
PNG
(CHEMBL4070356)
Show SMILES CCN(CC)c1nc(Nc2cccc(Cl)c2)nc(OC(C(F)(F)F)C(F)(F)F)n1
Show InChI InChI=1S/C16H16ClF6N5O/c1-3-28(4-2)13-25-12(24-10-7-5-6-9(17)8-10)26-14(27-13)29-11(15(18,19)20)16(21,22)23/h5-8,11H,3-4H2,1-2H3,(H,24,25,26,27)
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n/an/an/an/a 2.80E+3n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP assessed as increase in forskolin-stimulated iodide influx measured after 10 mins f...


J Med Chem 60: 1210-1218 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01792
BindingDB Entry DOI: 10.7270/Q2ZC8540
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50232961
PNG
(CHEMBL4097188)
Show SMILES CNc1nc(Nc2ccccc2)nc(OC(C(F)(F)F)C(F)(F)F)n1
Show InChI InChI=1S/C13H11F6N5O/c1-20-9-22-10(21-7-5-3-2-4-6-7)24-11(23-9)25-8(12(14,15)16)13(17,18)19/h2-6,8H,1H3,(H2,20,21,22,23,24)
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n/an/an/an/a 120n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP assessed as increase in forskolin-stimulated iodide influx measured after 10 mins f...


J Med Chem 60: 1210-1218 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01792
BindingDB Entry DOI: 10.7270/Q2ZC8540
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50232962
PNG
(CHEMBL4079174)
Show SMILES CNc1nc(Nc2ccccc2)nc(OCC(F)(F)C(F)F)n1
Show InChI InChI=1S/C13H13F4N5O/c1-18-10-20-11(19-8-5-3-2-4-6-8)22-12(21-10)23-7-13(16,17)9(14)15/h2-6,9H,7H2,1H3,(H2,18,19,20,21,22)
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n/an/an/an/a 40n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP assessed as increase in forskolin-stimulated iodide influx measured after 10 mins f...


J Med Chem 60: 1210-1218 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01792
BindingDB Entry DOI: 10.7270/Q2ZC8540
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50232963
PNG
(CHEMBL4065523)
Show SMILES CCN(CC)c1nc(Nc2ccc(cc2)[N+]([O-])=O)nc(OC(C(F)(F)F)C(F)(F)F)n1
Show InChI InChI=1S/C16H16F6N6O3/c1-3-27(4-2)13-24-12(23-9-5-7-10(8-6-9)28(29)30)25-14(26-13)31-11(15(17,18)19)16(20,21)22/h5-8,11H,3-4H2,1-2H3,(H,23,24,25,26)
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n/an/an/an/a 1.80E+4n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP assessed as increase in forskolin-stimulated iodide influx measured after 10 mins f...


J Med Chem 60: 1210-1218 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01792
BindingDB Entry DOI: 10.7270/Q2ZC8540
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50232954
PNG
(CHEMBL4096577)
Show SMILES CCN(CC)c1nc(Nc2cccc(c2)C(O)=O)nc(OCC(F)(F)C(F)F)n1
Show InChI InChI=1S/C17H19F4N5O3/c1-3-26(4-2)15-23-14(22-11-7-5-6-10(8-11)12(27)28)24-16(25-15)29-9-17(20,21)13(18)19/h5-8,13H,3-4,9H2,1-2H3,(H,27,28)(H,22,23,24,25)
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n/an/an/an/a 500n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP assessed as increase in forskolin-stimulated iodide influx measured after 10 mins f...


J Med Chem 60: 1210-1218 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01792
BindingDB Entry DOI: 10.7270/Q2ZC8540
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50232957
PNG
(CHEMBL4080996)
Show SMILES CCN(CC)c1nc(Nc2cccc(c2)C(O)=O)nc(OC(C(F)(F)F)C(F)(F)F)n1
Show InChI InChI=1S/C17H17F6N5O3/c1-3-28(4-2)14-25-13(24-10-7-5-6-9(8-10)11(29)30)26-15(27-14)31-12(16(18,19)20)17(21,22)23/h5-8,12H,3-4H2,1-2H3,(H,29,30)(H,24,25,26,27)
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n/an/an/an/a 160n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP assessed as increase in forskolin-stimulated iodide influx measured after 10 mins f...


J Med Chem 60: 1210-1218 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01792
BindingDB Entry DOI: 10.7270/Q2ZC8540
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50232960
PNG
(CHEMBL4087035)
Show SMILES CCN(CC)c1nc(Nc2ccc3ncsc3c2)nc(OC(C(F)(F)F)C(F)(F)F)n1
Show InChI InChI=1S/C17H16F6N6OS/c1-3-29(4-2)14-26-13(25-9-5-6-10-11(7-9)31-8-24-10)27-15(28-14)30-12(16(18,19)20)17(21,22)23/h5-8,12H,3-4H2,1-2H3,(H,25,26,27,28)
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n/an/an/an/a 30n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in forskolin-stimulated basolateral membrane permeabilized FRT cells co-expressing YFP assessed as increase in sho...


J Med Chem 60: 1210-1218 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01792
BindingDB Entry DOI: 10.7270/Q2ZC8540
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50232962
PNG
(CHEMBL4079174)
Show SMILES CNc1nc(Nc2ccccc2)nc(OCC(F)(F)C(F)F)n1
Show InChI InChI=1S/C13H13F4N5O/c1-18-10-20-11(19-8-5-3-2-4-6-8)22-12(21-10)23-7-13(16,17)9(14)15/h2-6,9H,7H2,1H3,(H2,18,19,20,21,22)
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n/an/an/an/a 31n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in forskolin-stimulated basolateral membrane permeabilized FRT cells co-expressing YFP assessed as increase in sho...


J Med Chem 60: 1210-1218 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01792
BindingDB Entry DOI: 10.7270/Q2ZC8540
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50232965
PNG
(CHEMBL4078552)
Show SMILES CCN(CC)c1nc(Nc2cccc(c2)[N+]([O-])=O)nc(OC(C(F)(F)F)C(F)(F)F)n1
Show InChI InChI=1S/C16H16F6N6O3/c1-3-27(4-2)13-24-12(23-9-6-5-7-10(8-9)28(29)30)25-14(26-13)31-11(15(17,18)19)16(20,21)22/h5-8,11H,3-4H2,1-2H3,(H,23,24,25,26)
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n/an/an/an/a 200n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP assessed as increase in forskolin-stimulated iodide influx measured after 10 mins f...


J Med Chem 60: 1210-1218 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01792
BindingDB Entry DOI: 10.7270/Q2ZC8540
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50232948
PNG
(CHEMBL4074144)
Show SMILES CCN(CC)c1nc(Nc2ccc(cc2)C(O)=O)nc(OCC(F)(F)C(F)F)n1
Show InChI InChI=1S/C17H19F4N5O3/c1-3-26(4-2)15-23-14(22-11-7-5-10(6-8-11)12(27)28)24-16(25-15)29-9-17(20,21)13(18)19/h5-8,13H,3-4,9H2,1-2H3,(H,27,28)(H,22,23,24,25)
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n/an/an/an/a 2.50E+3n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP assessed as increase in forskolin-stimulated iodide influx measured after 10 mins f...


J Med Chem 60: 1210-1218 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01792
BindingDB Entry DOI: 10.7270/Q2ZC8540
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50232960
PNG
(CHEMBL4087035)
Show SMILES CCN(CC)c1nc(Nc2ccc3ncsc3c2)nc(OC(C(F)(F)F)C(F)(F)F)n1
Show InChI InChI=1S/C17H16F6N6OS/c1-3-29(4-2)14-26-13(25-9-5-6-10-11(7-9)31-8-24-10)27-15(28-14)30-12(16(18,19)20)17(21,22)23/h5-8,12H,3-4H2,1-2H3,(H,25,26,27,28)
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n/an/an/an/a 50n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP assessed as increase in forskolin-stimulated iodide influx measured after 10 mins f...


J Med Chem 60: 1210-1218 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01792
BindingDB Entry DOI: 10.7270/Q2ZC8540
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50232966
PNG
(CHEMBL4070362)
Show SMILES CCN(CC)c1nc(Nc2ccccc2)nc(OCC(F)(F)C(F)F)n1
Show InChI InChI=1S/C16H19F4N5O/c1-3-25(4-2)14-22-13(21-11-8-6-5-7-9-11)23-15(24-14)26-10-16(19,20)12(17)18/h5-9,12H,3-4,10H2,1-2H3,(H,21,22,23,24)
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n/an/an/an/a 2.00E+3n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP assessed as increase in forskolin-stimulated iodide influx measured after 10 mins f...


J Med Chem 60: 1210-1218 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01792
BindingDB Entry DOI: 10.7270/Q2ZC8540
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50232956
PNG
(CHEMBL4097536)
Show SMILES CCN(CC)c1nc(Nc2cccc(F)c2)nc(OC(C(F)(F)F)C(F)(F)F)n1
Show InChI InChI=1S/C16H16F7N5O/c1-3-28(4-2)13-25-12(24-10-7-5-6-9(17)8-10)26-14(27-13)29-11(15(18,19)20)16(21,22)23/h5-8,11H,3-4H2,1-2H3,(H,24,25,26,27)
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PubMed
n/an/an/an/a 140n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP assessed as increase in forskolin-stimulated iodide influx measured after 10 mins f...


J Med Chem 60: 1210-1218 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01792
BindingDB Entry DOI: 10.7270/Q2ZC8540
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50232959
PNG
(CHEMBL4094736)
Show SMILES CCN(CC)c1nc(Nc2ccc3[nH]ncc3c2)nc(OC(C(F)(F)F)C(F)(F)F)n1
Show InChI InChI=1S/C17H17F6N7O/c1-3-30(4-2)14-26-13(25-10-5-6-11-9(7-10)8-24-29-11)27-15(28-14)31-12(16(18,19)20)17(21,22)23/h5-8,12H,3-4H2,1-2H3,(H,24,29)(H,25,26,27,28)
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PC sid
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Article
PubMed
n/an/an/an/a 2.80E+3n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP assessed as increase in forskolin-stimulated iodide influx measured after 10 mins f...


J Med Chem 60: 1210-1218 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01792
BindingDB Entry DOI: 10.7270/Q2ZC8540
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50232964
PNG
(CHEMBL4071412)
Show SMILES CCN(CC)c1nc(Nc2cccc(c2)[N+]([O-])=O)nc(OCC(F)(F)C(F)F)n1
Show InChI InChI=1S/C16H18F4N6O3/c1-3-25(4-2)14-22-13(21-10-6-5-7-11(8-10)26(27)28)23-15(24-14)29-9-16(19,20)12(17)18/h5-8,12H,3-4,9H2,1-2H3,(H,21,22,23,24)
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n/an/an/an/a 1.20E+3n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP assessed as increase in forskolin-stimulated iodide influx measured after 10 mins f...


J Med Chem 60: 1210-1218 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01792
BindingDB Entry DOI: 10.7270/Q2ZC8540
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50232953
PNG
(CHEMBL4062768)
Show SMILES CCN(CC)c1nc(Nc2cccc(F)c2)nc(OCC(F)(F)C(F)F)n1
Show InChI InChI=1S/C16H18F5N5O/c1-3-26(4-2)14-23-13(22-11-7-5-6-10(17)8-11)24-15(25-14)27-9-16(20,21)12(18)19/h5-8,12H,3-4,9H2,1-2H3,(H,22,23,24,25)
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n/an/an/an/a 1.60E+3n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human CFTR expressed in FRT cells co-expressing YFP assessed as increase in forskolin-stimulated iodide influx measured after 10 mins f...


J Med Chem 60: 1210-1218 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01792
BindingDB Entry DOI: 10.7270/Q2ZC8540
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%