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Compile Data Set for Download or QSAR

Found 353 hits Enz. Inhib. hit(s) with Target = 'CFTR'   
Target
(Institution)
LigandTarget
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


(Homo sapiens)
BDBM50434312
PNG
(CHEMBL2386374)
Show SMILES Cn1c2c3[C@@H](Oc4ccc(cc4-n3c(-c3ccccc3)c2c(=O)n(C)c1=O)C([O-])=O)c1ccc(Br)o1
Show InChI InChI=1S/C26H18BrN3O6/c1-28-21-19(24(31)29(2)26(28)34)20(13-6-4-3-5-7-13)30-15-12-14(25(32)33)8-9-16(15)36-23(22(21)30)17-10-11-18(27)35-17/h3-12,23H,1-2H3,(H,32,33)/p-1/t23-/m0/s1
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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type human CFTR chloride conductance expressed in forskolin-stimulated rat FRT cells by short-circuit current analysis in presence...


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50343996
PNG
(2,4-dimethylpyrido[1,2-a]pyrimidin-5-ium-3-olate |...)
Show SMILES Cc1nc2cccc[n+]2c(C)c1[O-]
Show InChI InChI=1S/C10H10N2O/c1-7-10(13)8(2)12-6-4-3-5-9(12)11-7/h3-6H,1-2H3
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n/an/a 5n/an/an/an/an/an/a



University Joseph Fourier-Grenoble 1/CNRS

Curated by ChEMBL


Assay Description
Inhibition of wild type CFTR expressed in CHO cells by [125I]iodide efflux assay


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50353351
PNG
(CHEMBL1831075)
Show SMILES Cn1c2c3C(Oc4ccc(cc4-n3c(-c3ccccc3)c2c(=O)n(C)c1=O)C(O)=O)c1ccc(Br)o1
Show InChI InChI=1S/C26H18BrN3O6/c1-28-21-19(24(31)29(2)26(28)34)20(13-6-4-3-5-7-13)30-15-12-14(25(32)33)8-9-16(15)36-23(22(21)30)17-10-11-18(27)35-17/h3-12,23H,1-2H3,(H,32,33)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of human wild-type CFTR expressed in FRT cells assessed as inhibition of forskolin-induced short-circuit current by voltage clamp electrop...


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50343998
PNG
((2S,3R,4R)-3,4-dihydroxy-2,4-dimethyl-3,4-dihydro-...)
Show SMILES CC1(O)C(O)C(C)(N[c+]2n1ccc1ccccc21)C([O-])=O
Show InChI InChI=1S/C15H16N2O4/c1-14(13(19)20)12(18)15(2,21)17-8-7-9-5-3-4-6-10(9)11(17)16-14/h3-8,12,18,21H,1-2H3,(H,19,20)
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n/an/a 15n/an/an/an/an/an/a



University Joseph Fourier-Grenoble 1/CNRS

Curated by ChEMBL


Assay Description
Inhibition of wild type CFTR expressed in CHO cells by [125I]iodide efflux assay


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50343998
PNG
((2S,3R,4R)-3,4-dihydroxy-2,4-dimethyl-3,4-dihydro-...)
Show SMILES CC1(O)C(O)C(C)(N[c+]2n1ccc1ccccc21)C([O-])=O
Show InChI InChI=1S/C15H16N2O4/c1-14(13(19)20)12(18)15(2,21)17-8-7-9-5-3-4-6-10(9)11(17)16-14/h3-8,12,18,21H,1-2H3,(H,19,20)
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n/an/a 15n/an/an/an/an/an/a



University Joseph Fourier-Grenoble 1/CNRS

Curated by ChEMBL


Assay Description
Inhibition of wild type CFTR expressed in CHO cells by [125I]iodide efflux assay


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50343997
PNG
(2,4-dimethylpyrimido[2,1-a]isoquinolin-5-ium-3-ola...)
Show SMILES Cc1nc2c3ccccc3cc[n+]2c(C)c1[O-]
Show InChI InChI=1S/C14H12N2O/c1-9-13(17)10(2)16-8-7-11-5-3-4-6-12(11)14(16)15-9/h3-8H,1-2H3
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n/an/a 16n/an/an/an/an/an/a



University Joseph Fourier-Grenoble 1/CNRS

Curated by ChEMBL


Assay Description
Inhibition of wild type CFTR expressed in CHO cells by [125I]iodide efflux assay


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50353346
PNG
(CHEMBL1831070)
Show SMILES Cc1ccc(o1)C1Oc2ccc(cc2-n2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C26H20N4O6/c1-14-9-11-19(35-14)24-23-22-20(25(31)28(3)26(32)27(22)2)21(15-7-5-4-6-8-15)29(23)17-13-16(30(33)34)10-12-18(17)36-24/h4-13,24H,1-3H3
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n/an/a 25n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human wild-type CFTR expressed in FRT cells assessed as inhibition of forskolin-induced short-circuit current by voltage clamp electrop...


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50353345
PNG
(CHEMBL1831069)
Show SMILES Cn1c2c3C(Oc4ccc(cc4-n3c(-c3ccccc3)c2c(=O)n(C)c1=O)[N+]([O-])=O)c1ccc(Br)o1
Show InChI InChI=1S/C25H17BrN4O6/c1-27-21-19(24(31)28(2)25(27)32)20(13-6-4-3-5-7-13)29-15-12-14(30(33)34)8-9-16(15)36-23(22(21)29)17-10-11-18(26)35-17/h3-12,23H,1-2H3
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University of California

Curated by ChEMBL


Assay Description
Inhibition of human wild-type CFTR expressed in FRT cells assessed as inhibition of forskolin-induced short-circuit current by voltage clamp electrop...


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50353349
PNG
(CHEMBL1831073)
Show SMILES CCOC(=O)c1ccc2OC(c3ccc(Br)o3)c3n(c(-c4ccccc4)c4c3n(C)c(=O)n(C)c4=O)-c2c1
Show InChI InChI=1S/C28H22BrN3O6/c1-4-36-27(34)16-10-11-18-17(14-16)32-22(15-8-6-5-7-9-15)21-23(30(2)28(35)31(3)26(21)33)24(32)25(38-18)19-12-13-20(29)37-19/h5-14,25H,4H2,1-3H3
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University of California

Curated by ChEMBL


Assay Description
Inhibition of human wild-type CFTR expressed in FRT cells assessed as inhibition of forskolin-induced short-circuit current by voltage clamp electrop...


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50353351
PNG
(CHEMBL1831075)
Show SMILES Cn1c2c3C(Oc4ccc(cc4-n3c(-c3ccccc3)c2c(=O)n(C)c1=O)C(O)=O)c1ccc(Br)o1
Show InChI InChI=1S/C26H18BrN3O6/c1-28-21-19(24(31)29(2)26(28)34)20(13-6-4-3-5-7-13)30-15-12-14(25(32)33)8-9-16(15)36-23(22(21)30)17-10-11-18(27)35-17/h3-12,23H,1-2H3,(H,32,33)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of human wild-type CFTR expressed in FRT cells coexpressing YFP-H148Q assessed as inhibition of cAMP agonist-induced iodide influx after 4...


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50353338
PNG
(CHEMBL1831058)
Show SMILES Cn1c2c3C(Nc4ccccc4-n3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1ccc(Br)o1
Show InChI InChI=1S/C25H19BrN4O3/c1-28-22-19(24(31)29(2)25(28)32)21(14-8-4-3-5-9-14)30-16-11-7-6-10-15(16)27-20(23(22)30)17-12-13-18(26)33-17/h3-13,20,27H,1-2H3
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University of California

Curated by ChEMBL


Assay Description
Inhibition of human wild-type CFTR expressed in FRT cells assessed as inhibition of forskolin-induced short-circuit current by voltage clamp electrop...


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50353349
PNG
(CHEMBL1831073)
Show SMILES CCOC(=O)c1ccc2OC(c3ccc(Br)o3)c3n(c(-c4ccccc4)c4c3n(C)c(=O)n(C)c4=O)-c2c1
Show InChI InChI=1S/C28H22BrN3O6/c1-4-36-27(34)16-10-11-18-17(14-16)32-22(15-8-6-5-7-9-15)21-23(30(2)28(35)31(3)26(21)33)24(32)25(38-18)19-12-13-20(29)37-19/h5-14,25H,4H2,1-3H3
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University of California

Curated by ChEMBL


Assay Description
Inhibition of human wild-type CFTR expressed in FRT cells coexpressing YFP-H148Q assessed as inhibition of cAMP agonist-induced iodide influx after 4...


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50353350
PNG
(CHEMBL1831074)
Show SMILES CCOC(=O)c1ccc2OC(c3ccc(C)o3)c3n(c(-c4ccccc4)c4c3n(C)c(=O)n(C)c4=O)-c2c1
Show InChI InChI=1S/C29H25N3O6/c1-5-36-28(34)18-12-14-20-19(15-18)32-23(17-9-7-6-8-10-17)22-24(30(3)29(35)31(4)27(22)33)25(32)26(38-20)21-13-11-16(2)37-21/h6-15,26H,5H2,1-4H3
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University of California

Curated by ChEMBL


Assay Description
Inhibition of human wild-type CFTR expressed in FRT cells coexpressing YFP-H148Q assessed as inhibition of cAMP agonist-induced iodide influx after 4...


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50353341
PNG
(CHEMBL1831064)
Show SMILES Cn1c2c3C(Oc4ccccc4-n3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1ccc(Br)o1
Show InChI InChI=1S/C25H18BrN3O4/c1-27-21-19(24(30)28(2)25(27)31)20(14-8-4-3-5-9-14)29-15-10-6-7-11-16(15)33-23(22(21)29)17-12-13-18(26)32-17/h3-13,23H,1-2H3
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University of California

Curated by ChEMBL


Assay Description
Inhibition of human wild-type CFTR expressed in FRT cells assessed as inhibition of forskolin-induced short-circuit current by voltage clamp electrop...


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50353338
PNG
(CHEMBL1831058)
Show SMILES Cn1c2c3C(Nc4ccccc4-n3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1ccc(Br)o1
Show InChI InChI=1S/C25H19BrN4O3/c1-28-22-19(24(31)29(2)25(28)32)21(14-8-4-3-5-9-14)30-16-11-7-6-10-15(16)27-20(23(22)30)17-12-13-18(26)33-17/h3-13,20,27H,1-2H3
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University of California

Curated by ChEMBL


Assay Description
Inhibition of human wild-type CFTR expressed in FRT cells coexpressing YFP-H148Q assessed as inhibition of cAMP agonist-induced iodide influx after 4...


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50324734
PNG
(7,9-Dimethyl-6-(5-methyl-furan-2-yl)-11-phenyl-6,7...)
Show SMILES Cc1ccc(o1)C1Nc2ccccc2-n2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1
Show InChI InChI=1S/C26H22N4O3/c1-15-13-14-19(33-15)21-24-23-20(25(31)29(3)26(32)28(23)2)22(16-9-5-4-6-10-16)30(24)18-12-8-7-11-17(18)27-21/h4-14,21,27H,1-3H3
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n/an/a 90n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human CFTR expressed in rat FRT cells assessed as inhibition of CPT-cAMP-induced apical membrane current in presence of transepithelial...


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50324734
PNG
(7,9-Dimethyl-6-(5-methyl-furan-2-yl)-11-phenyl-6,7...)
Show SMILES Cc1ccc(o1)C1Nc2ccccc2-n2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1
Show InChI InChI=1S/C26H22N4O3/c1-15-13-14-19(33-15)21-24-23-20(25(31)29(3)26(32)28(23)2)22(16-9-5-4-6-10-16)30(24)18-12-8-7-11-17(18)27-21/h4-14,21,27H,1-3H3
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University of California

Curated by ChEMBL


Assay Description
Inhibition of human wild-type CFTR expressed in FRT cells assessed as inhibition of forskolin-induced short-circuit current by voltage clamp electrop...


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50353339
PNG
(CHEMBL1831059)
Show SMILES Cn1c2c3C(Nc4ccccc4-n3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1ccc(I)o1
Show InChI InChI=1S/C25H19IN4O3/c1-28-22-19(24(31)29(2)25(28)32)21(14-8-4-3-5-9-14)30-16-11-7-6-10-15(16)27-20(23(22)30)17-12-13-18(26)33-17/h3-13,20,27H,1-2H3
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University of California

Curated by ChEMBL


Assay Description
Inhibition of human wild-type CFTR expressed in FRT cells assessed as inhibition of forskolin-induced short-circuit current by voltage clamp electrop...


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50353346
PNG
(CHEMBL1831070)
Show SMILES Cc1ccc(o1)C1Oc2ccc(cc2-n2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C26H20N4O6/c1-14-9-11-19(35-14)24-23-22-20(25(31)28(3)26(32)27(22)2)21(15-7-5-4-6-8-15)29(23)17-13-16(30(33)34)10-12-18(17)36-24/h4-13,24H,1-3H3
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University of California

Curated by ChEMBL


Assay Description
Inhibition of human wild-type CFTR expressed in FRT cells coexpressing YFP-H148Q assessed as inhibition of cAMP agonist-induced iodide influx after 4...


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50353345
PNG
(CHEMBL1831069)
Show SMILES Cn1c2c3C(Oc4ccc(cc4-n3c(-c3ccccc3)c2c(=O)n(C)c1=O)[N+]([O-])=O)c1ccc(Br)o1
Show InChI InChI=1S/C25H17BrN4O6/c1-27-21-19(24(31)28(2)25(27)32)20(13-6-4-3-5-7-13)29-15-12-14(30(33)34)8-9-16(15)36-23(22(21)29)17-10-11-18(26)35-17/h3-12,23H,1-2H3
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University of California

Curated by ChEMBL


Assay Description
Inhibition of human wild-type CFTR expressed in FRT cells coexpressing YFP-H148Q assessed as inhibition of cAMP agonist-induced iodide influx after 4...


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50088373
PNG
(CHEBI:46295 | VARDENAFIL | Vardenafil | cid_110634)
Show SMILES CCCc1nc(C)c2n1[nH]c(nc2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)
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n/an/a 140n/an/an/an/an/an/a



Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)

More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50353337
PNG
(CHEMBL1831057)
Show SMILES Cn1c2c3C(Nc4ccccc4-n3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1ccc(Cl)o1
Show InChI InChI=1S/C25H19ClN4O3/c1-28-22-19(24(31)29(2)25(28)32)21(14-8-4-3-5-9-14)30-16-11-7-6-10-15(16)27-20(23(22)30)17-12-13-18(26)33-17/h3-13,20,27H,1-2H3
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n/an/a 150n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human wild-type CFTR expressed in FRT cells coexpressing YFP-H148Q assessed as inhibition of cAMP agonist-induced iodide influx after 4...


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50353342
PNG
(CHEMBL1831066)
Show SMILES Cc1ccc(o1)C1Oc2ccccc2-n2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1
Show InChI InChI=1S/C26H21N3O4/c1-15-13-14-19(32-15)24-23-22-20(25(30)28(3)26(31)27(22)2)21(16-9-5-4-6-10-16)29(23)17-11-7-8-12-18(17)33-24/h4-14,24H,1-3H3
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n/an/a 150n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human wild-type CFTR expressed in FRT cells coexpressing YFP-H148Q assessed as inhibition of cAMP agonist-induced iodide influx after 4...


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50353339
PNG
(CHEMBL1831059)
Show SMILES Cn1c2c3C(Nc4ccccc4-n3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1ccc(I)o1
Show InChI InChI=1S/C25H19IN4O3/c1-28-22-19(24(31)29(2)25(28)32)21(14-8-4-3-5-9-14)30-16-11-7-6-10-15(16)27-20(23(22)30)17-12-13-18(26)33-17/h3-13,20,27H,1-2H3
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n/an/a 170n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human wild-type CFTR expressed in FRT cells coexpressing YFP-H148Q assessed as inhibition of cAMP agonist-induced iodide influx after 4...


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50353348
PNG
(CHEMBL1831072)
Show SMILES Cc1ccc(o1)C1Oc2cc(c(Cl)cc2-n2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C26H19ClN4O6/c1-13-9-10-18(36-13)24-23-22-20(25(32)29(3)26(33)28(22)2)21(14-7-5-4-6-8-14)30(23)17-11-15(27)16(31(34)35)12-19(17)37-24/h4-12,24H,1-3H3
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n/an/a 170n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human wild-type CFTR expressed in FRT cells coexpressing YFP-H148Q assessed as inhibition of cAMP agonist-induced iodide influx after 4...


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50353347
PNG
(CHEMBL1831071)
Show SMILES Cn1c2c3C(Nc4ccc(cc4-n3c(-c3ccccc3)c2c(=O)n(C)c1=O)[N+]([O-])=O)c1ccc(Br)o1
Show InChI InChI=1S/C25H18BrN5O5/c1-28-22-19(24(32)29(2)25(28)33)21(13-6-4-3-5-7-13)30-16-12-14(31(34)35)8-9-15(16)27-20(23(22)30)17-10-11-18(26)36-17/h3-12,20,27H,1-2H3
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n/an/a 170n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human wild-type CFTR expressed in FRT cells coexpressing YFP-H148Q assessed as inhibition of cAMP agonist-induced iodide influx after 4...


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50353341
PNG
(CHEMBL1831064)
Show SMILES Cn1c2c3C(Oc4ccccc4-n3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1ccc(Br)o1
Show InChI InChI=1S/C25H18BrN3O4/c1-27-21-19(24(30)28(2)25(27)31)20(14-8-4-3-5-9-14)29-15-10-6-7-11-16(15)33-23(22(21)29)17-12-13-18(26)32-17/h3-13,23H,1-2H3
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n/an/a 200n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human wild-type CFTR expressed in FRT cells coexpressing YFP-H148Q assessed as inhibition of cAMP agonist-induced iodide influx after 4...


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50324734
PNG
(7,9-Dimethyl-6-(5-methyl-furan-2-yl)-11-phenyl-6,7...)
Show SMILES Cc1ccc(o1)C1Nc2ccccc2-n2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1
Show InChI InChI=1S/C26H22N4O3/c1-15-13-14-19(33-15)21-24-23-20(25(31)29(3)26(32)28(23)2)22(16-9-5-4-6-10-16)30(24)18-12-8-7-11-17(18)27-21/h4-14,21,27H,1-3H3
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n/an/a 250n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human wild-type CFTR expressed in FRT cells coexpressing YFP-H148Q assessed as inhibition of cAMP agonist-induced iodide influx after 4...


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50353334
PNG
(CHEMBL1831054)
Show SMILES CCc1ccc(o1)C1Nc2ccccc2-n2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1
Show InChI InChI=1S/C27H24N4O3/c1-4-17-14-15-20(34-17)22-25-24-21(26(32)30(3)27(33)29(24)2)23(16-10-6-5-7-11-16)31(25)19-13-9-8-12-18(19)28-22/h5-15,22,28H,4H2,1-3H3
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n/an/a 300n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human wild-type CFTR expressed in FRT cells coexpressing YFP-H148Q assessed as inhibition of cAMP agonist-induced iodide influx after 4...


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50244767
PNG
(4-((4-oxo-2-thioxo-3-(3-(trifluoromethyl)phenyl)th...)
Show SMILES OC(=O)c1ccc(\C=C2/SC(=S)N(C2=O)c2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C18H10F3NO3S2/c19-18(20,21)12-2-1-3-13(9-12)22-15(23)14(27-17(22)26)8-10-4-6-11(7-5-10)16(24)25/h1-9H,(H,24,25)/b14-8-
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n/an/a 300n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of CFTR


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50244767
PNG
(4-((4-oxo-2-thioxo-3-(3-(trifluoromethyl)phenyl)th...)
Show SMILES OC(=O)c1ccc(\C=C2/SC(=S)N(C2=O)c2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C18H10F3NO3S2/c19-18(20,21)12-2-1-3-13(9-12)22-15(23)14(27-17(22)26)8-10-4-6-11(7-5-10)16(24)25/h1-9H,(H,24,25)/b14-8-
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n/an/a 300n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of CFTR


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50353340
PNG
(CHEMBL1831060)
Show SMILES Cn1c2c3C(Nc4ccccc4-n3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1ccc(o1)C(F)(F)F
Show InChI InChI=1S/C26H19F3N4O3/c1-31-22-19(24(34)32(2)25(31)35)21(14-8-4-3-5-9-14)33-16-11-7-6-10-15(16)30-20(23(22)33)17-12-13-18(36-17)26(27,28)29/h3-13,20,30H,1-2H3
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n/an/a 350n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human wild-type CFTR expressed in FRT cells coexpressing YFP-H148Q assessed as inhibition of cAMP agonist-induced iodide influx after 4...


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50353343
PNG
(CHEMBL1831067)
Show SMILES Cc1cccc(c1)-c1n-2c(C(Oc3ccccc-23)c2ccc(Cl)o2)c2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C26H20ClN3O4/c1-14-7-6-8-15(13-14)21-20-22(28(2)26(32)29(3)25(20)31)23-24(18-11-12-19(27)33-18)34-17-10-5-4-9-16(17)30(21)23/h4-13,24H,1-3H3
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n/an/a 370n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human wild-type CFTR expressed in FRT cells coexpressing YFP-H148Q assessed as inhibition of cAMP agonist-induced iodide influx after 4...


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50244767
PNG
(4-((4-oxo-2-thioxo-3-(3-(trifluoromethyl)phenyl)th...)
Show SMILES OC(=O)c1ccc(\C=C2/SC(=S)N(C2=O)c2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C18H10F3NO3S2/c19-18(20,21)12-2-1-3-13(9-12)22-15(23)14(27-17(22)26)8-10-4-6-11(7-5-10)16(24)25/h1-9H,(H,24,25)/b14-8-
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n/an/a 380n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human wild type CFTR expressed in rat FRT cells assessed as chloride current by short-circuit current measurements


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50353353
PNG
(CHEMBL1831065)
Show SMILES Cn1c2c3C(Oc4ccccc4-n3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1ccc(I)o1
Show InChI InChI=1S/C25H18IN3O4/c1-27-21-19(24(30)28(2)25(27)31)20(14-8-4-3-5-9-14)29-15-10-6-7-11-16(15)33-23(22(21)29)17-12-13-18(26)32-17/h3-13,23H,1-2H3
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n/an/a 500n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human wild-type CFTR expressed in FRT cells coexpressing YFP-H148Q assessed as inhibition of cAMP agonist-induced iodide influx after 4...


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50353344
PNG
(CHEMBL1831068)
Show SMILES Cc1ccc(o1)C1Oc2ccccc2-n2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1cccc(C)c1
Show InChI InChI=1S/C27H23N3O4/c1-15-8-7-9-17(14-15)22-21-23(28(3)27(32)29(4)26(21)31)24-25(20-13-12-16(2)33-20)34-19-11-6-5-10-18(19)30(22)24/h5-14,25H,1-4H3
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n/an/a 600n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human wild-type CFTR expressed in FRT cells coexpressing YFP-H148Q assessed as inhibition of cAMP agonist-induced iodide influx after 4...


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50416575
PNG
(CHEMBL1222175)
Show SMILES Cc1ccc(o1)C1Nc2ccccc2-n2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1cccc(C)c1
Show InChI InChI=1S/C27H24N4O3/c1-15-8-7-9-17(14-15)23-21-24(29(3)27(33)30(4)26(21)32)25-22(20-13-12-16(2)34-20)28-18-10-5-6-11-19(18)31(23)25/h5-14,22,28H,1-4H3
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n/an/a 700n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human CFTR expressed in rat FRT cells coexpressing halide indicator YFP-H148Q assessed as inhibition of halide influx preincubated for ...


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50244768
PNG
(5-[[4-(2H-Tetrazol-5-yl)phenyl]methylene]-2-thioxo...)
Show SMILES FC(F)(F)c1cccc(c1)N1C(=S)SC(=Cc2ccc(cc2)-c2nnn[nH]2)C1=O
Show InChI InChI=1S/C18H10F3N5OS2/c19-18(20,21)12-2-1-3-13(9-12)26-16(27)14(29-17(26)28)8-10-4-6-11(7-5-10)15-22-24-25-23-15/h1-9H,(H,22,23,24,25)
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n/an/a 760n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human wild type CFTR expressed in rat FRT cells assessed as chloride current by short-circuit current measurements


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50324734
PNG
(7,9-Dimethyl-6-(5-methyl-furan-2-yl)-11-phenyl-6,7...)
Show SMILES Cc1ccc(o1)C1Nc2ccccc2-n2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1
Show InChI InChI=1S/C26H22N4O3/c1-15-13-14-19(33-15)21-24-23-20(25(31)29(3)26(32)28(23)2)22(16-9-5-4-6-10-16)30(24)18-12-8-7-11-17(18)27-21/h4-14,21,27H,1-3H3
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n/an/a 800n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human CFTR expressed in rat FRT cells coexpressing halide indicator YFP-H148Q assessed as inhibition of halide influx preincubated for ...


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50416576
PNG
(CHEMBL1222176)
Show SMILES Cc1ccc(o1)C1Nc2ccccc2-n2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1C
Show InChI InChI=1S/C27H24N4O3/c1-15-9-5-6-10-17(15)23-21-24(29(3)27(33)30(4)26(21)32)25-22(20-14-13-16(2)34-20)28-18-11-7-8-12-19(18)31(23)25/h5-14,22,28H,1-4H3
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n/an/a 800n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human CFTR expressed in rat FRT cells coexpressing halide indicator YFP-H148Q assessed as inhibition of halide influx preincubated for ...


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50416577
PNG
(CHEMBL1081471)
Show SMILES Cc1ccc(o1)C1Nc2cc(C)c(C)cc2-n2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1
Show InChI InChI=1S/C28H26N4O3/c1-15-13-19-20(14-16(15)2)32-24(18-9-7-6-8-10-18)22-25(30(4)28(34)31(5)27(22)33)26(32)23(29-19)21-12-11-17(3)35-21/h6-14,23,29H,1-5H3
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n/an/a 800n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human CFTR expressed in rat FRT cells coexpressing halide indicator YFP-H148Q assessed as inhibition of halide influx preincubated for ...


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50324734
PNG
(7,9-Dimethyl-6-(5-methyl-furan-2-yl)-11-phenyl-6,7...)
Show SMILES Cc1ccc(o1)C1Nc2ccccc2-n2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1
Show InChI InChI=1S/C26H22N4O3/c1-15-13-14-19(33-15)21-24-23-20(25(31)29(3)26(32)28(23)2)22(16-9-5-4-6-10-16)30(24)18-12-8-7-11-17(18)27-21/h4-14,21,27H,1-3H3
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n/an/a<1.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of CFTR in nonpermeabilized human bronchial epithelial cells assessed as inhibition of forskolin and IBMX-induced chloride current at by s...


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50324734
PNG
(7,9-Dimethyl-6-(5-methyl-furan-2-yl)-11-phenyl-6,7...)
Show SMILES Cc1ccc(o1)C1Nc2ccccc2-n2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1
Show InChI InChI=1S/C26H22N4O3/c1-15-13-14-19(33-15)21-24-23-20(25(31)29(3)26(32)28(23)2)22(16-9-5-4-6-10-16)30(24)18-12-8-7-11-17(18)27-21/h4-14,21,27H,1-3H3
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n/an/a<1.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of CFTR in nonpermeabilized human T84 cells assessed as inhibition of forskolin and IBMX-induced chloride current by short-circuit current...


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50353333
PNG
(CHEMBL1831053)
Show SMILES CN1C(c2ccc(C)o2)c2n(c(-c3ccccc3)c3c2n(C)c(=O)n(C)c3=O)-c2ccccc12
Show InChI InChI=1S/C27H24N4O3/c1-16-14-15-20(34-16)23-25-24-21(26(32)30(4)27(33)29(24)3)22(17-10-6-5-7-11-17)31(25)19-13-9-8-12-18(19)28(23)2/h5-15,23H,1-4H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human wild-type CFTR expressed in FRT cells coexpressing YFP-H148Q assessed as inhibition of cAMP agonist-induced iodide influx after 4...


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More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50416579
PNG
(CHEMBL1222277)
Show SMILES Cn1c2c3C(Nc4ccccc4-n3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1cccc(F)c1F
Show InChI InChI=1S/C27H20F2N4O2/c1-31-24-20(26(34)32(2)27(31)35)23(15-9-4-3-5-10-15)33-19-14-7-6-13-18(19)30-22(25(24)33)16-11-8-12-17(28)21(16)29/h3-14,22,30H,1-2H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human CFTR expressed in rat FRT cells coexpressing halide indicator YFP-H148Q assessed as inhibition of halide influx preincubated for ...


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More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50416580
PNG
(CHEMBL1080548)
Show SMILES Cn1c2c3C(Nc4ccccc4-n3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C27H21N5O4/c1-29-24-21(26(33)30(2)27(29)34)23(16-9-4-3-5-10-16)31-20-14-7-6-13-19(20)28-22(25(24)31)17-11-8-12-18(15-17)32(35)36/h3-15,22,28H,1-2H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human CFTR expressed in rat FRT cells coexpressing halide indicator YFP-H148Q assessed as inhibition of halide influx preincubated for ...


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM200228
PNG
(AB01275474-01 | cid_24871309)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O
Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17+/m0/s1
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n/an/a 1.29E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by PubChem BioAssay




PubChem Bioassay (2016)

More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50244769
PNG
(2-hydroxy-5-((4-oxo-2-thioxo-3-(3-(trifluoromethyl...)
Show SMILES OC(=O)c1cc(\C=C2/SC(=S)N(C2=O)c2cccc(c2)C(F)(F)F)ccc1O
Show InChI InChI=1S/C18H10F3NO4S2/c19-18(20,21)10-2-1-3-11(8-10)22-15(24)14(28-17(22)27)7-9-4-5-13(23)12(6-9)16(25)26/h1-8,23H,(H,25,26)/b14-7-
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human wild type CFTR expressed in rat FRT cells assessed as chloride current by short-circuit current measurements


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50244389
PNG
(4-[[3-[3-(trifluoromethyl)phenyl]-2,4-dioxo-5-thia...)
Show SMILES OC(=O)c1ccc(\C=C2/SC(=O)N(C2=O)c2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C18H10F3NO4S/c19-18(20,21)12-2-1-3-13(9-12)22-15(23)14(27-17(22)26)8-10-4-6-11(7-5-10)16(24)25/h1-9H,(H,24,25)/b14-8-
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human wild type CFTR expressed in rat FRT cells assessed as chloride current by short-circuit current measurements


Citation and Details
More data for this
Ligand-Target Pair
CFTR


(Homo sapiens)
BDBM50244715
PNG
(4-((3-(4-fluoro-3-(trifluoromethyl)phenyl)-4-oxo-2...)
Show SMILES OC(=O)c1ccc(\C=C2/SC(=S)N(C2=O)c2ccc(F)c(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C18H9F4NO3S2/c19-13-6-5-11(8-12(13)18(20,21)22)23-15(24)14(28-17(23)27)7-9-1-3-10(4-2-9)16(25)26/h1-8H,(H,25,26)/b14-7-
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human wild type CFTR expressed in rat FRT cells assessed as chloride current by short-circuit current measurements


Citation and Details
More data for this
Ligand-Target Pair
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