Compile Data Set for Download or QSAR
Found 1261 Enz. Inhib. hit(s) with Target = 'Cystic fibrosis transmembrane conductance regulator'
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
Punjabi University

Curated by ChEMBL
LigandPNGBDBM7458(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
Affinity DataKi:  81nMAssay Description:Inhibition of forskolin-stimulated CFTR (unknown origin)More data for this Ligand-Target Pair
TargetCystic fibrosis transmembrane conductance regulator(Cricetulus griseus (Chinese hamster))
Novartis AG

US Patent
LigandPNGBDBM221982(US9303035, 6)
Show SMILES Cn1c2c3[C@@H](O[C@@H](CO)Cn3c(-c3cccc(F)c3)c2c(=O)n(C)c1=O)c1ccc(Cl)o1
Show InChI InChI=1S/C22H19ClFN3O5/c1-25-18-16(21(29)26(2)22(25)30)17(11-4-3-5-12(24)8-11)27-9-13(10-28)31-20(19(18)27)14-6-7-15(23)32-14/h3-8,13,20,28H,9-10H2,1-2H3/t13-,20+/m1/s1
Affinity DataIC50: 0.0500nMAssay Description:CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Cricetulus griseus (Chinese hamster))
Novartis AG

US Patent
LigandPNGBDBM221986(US9303035, 8.0a)
Show SMILES Cn1c2c3[C@H](O[C@@H](CO)Cn3c(-c3cccc(Cl)c3)c2c(=O)n(C)c1=O)c1nc(Cl)cs1
Show InChI InChI=1S/C21H18Cl2N4O4S/c1-25-16-14(20(29)26(2)21(25)30)15(10-4-3-5-11(22)6-10)27-7-12(8-28)31-18(17(16)27)19-24-13(23)9-32-19/h3-6,9,12,18,28H,7-8H2,1-2H3/t12-,18+/m1/s1
Affinity DataIC50: 0.0700nMAssay Description:CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Cricetulus griseus (Chinese hamster))
Novartis AG

US Patent
LigandPNGBDBM221984(US9303035, 7.0a)
Show SMILES Cc1csc(n1)-c1n2CC(CO)OC(c3ccc(Cl)o3)c2c2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C20H19ClN4O5S/c1-9-8-31-18(22-9)15-13-14(23(2)20(28)24(3)19(13)27)16-17(11-4-5-12(21)30-11)29-10(7-26)6-25(15)16/h4-5,8,10,17,26H,6-7H2,1-3H3
Affinity DataIC50: 0.0900nMAssay Description:CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Cricetulus griseus (Chinese hamster))
Novartis AG

US Patent
LigandPNGBDBM221987(US9303035, 8.1a)
Show SMILES Cn1c2c3[C@@H](O[C@@H](CO)Cn3c(-c3cccc(Cl)c3)c2c(=O)n(C)c1=O)c1ccc(Cl)o1
Show InChI InChI=1S/C22H19Cl2N3O5/c1-25-18-16(21(29)26(2)22(25)30)17(11-4-3-5-12(23)8-11)27-9-13(10-28)31-20(19(18)27)14-6-7-15(24)32-14/h3-8,13,20,28H,9-10H2,1-2H3/t13-,20+/m1/s1
Affinity DataIC50: 0.120nMAssay Description:CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Cricetulus griseus (Chinese hamster))
Novartis AG

US Patent
LigandPNGBDBM221992(US9303035, 12.2)
Show SMILES COCC1Cn2c(C(O1)c1ccc(Cl)o1)c1n(C)c(=O)n(C)c(=O)c1c2-c1cccc(Cl)c1
Show InChI InChI=1S/C23H21Cl2N3O5/c1-26-19-17(22(29)27(2)23(26)30)18(12-5-4-6-13(24)9-12)28-10-14(11-31-3)32-21(20(19)28)15-7-8-16(25)33-15/h4-9,14,21H,10-11H2,1-3H3
Affinity DataIC50: 0.240nMAssay Description:CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Cricetulus griseus (Chinese hamster))
Novartis AG

US Patent
LigandPNGBDBM221983(US9303035, 6.1)
Show SMILES Cn1c2c3[C@@H](O[C@@H](CO)Cn3c(-c3cccc(c3)C#N)c2c(=O)n(C)c1=O)c1ccc(Cl)o1
Show InChI InChI=1S/C23H19ClN4O5/c1-26-19-17(22(30)27(2)23(26)31)18(13-5-3-4-12(8-13)9-25)28-10-14(11-29)32-21(20(19)28)15-6-7-16(24)33-15/h3-8,14,21,29H,10-11H2,1-2H3/t14-,21+/m1/s1
Affinity DataIC50: 0.240nMAssay Description:CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Cricetulus griseus (Chinese hamster))
Novartis AG

US Patent
LigandPNGBDBM221989(US9303035, 11a)
Show SMILES Cn1c2c3[C@@H](N[C@@H](CO)Cn3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1ccc(Cl)o1
Show InChI InChI=1S/C22H21ClN4O4/c1-25-19-16(21(29)26(2)22(25)30)18(12-6-4-3-5-7-12)27-10-13(11-28)24-17(20(19)27)14-8-9-15(23)31-14/h3-9,13,17,24,28H,10-11H2,1-2H3/t13-,17+/m1/s1
Affinity DataIC50: 0.310nMAssay Description:CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Cricetulus griseus (Chinese hamster))
Novartis AG

US Patent
LigandPNGBDBM221993(US9303035, 12.4)
Show SMILES CN(C)CC1Cn2c(C(O1)c1ccc(Cl)o1)c1n(C)c(=O)n(C)c(=O)c1c2-c1cccc(Cl)c1
Show InChI InChI=1S/C24H24Cl2N4O4/c1-27(2)11-15-12-30-19(13-6-5-7-14(25)10-13)18-20(28(3)24(32)29(4)23(18)31)21(30)22(33-15)16-8-9-17(26)34-16/h5-10,15,22H,11-12H2,1-4H3
Affinity DataIC50: 0.540nMAssay Description:CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Cricetulus griseus (Chinese hamster))
Novartis AG

US Patent
LigandPNGBDBM221967(US9303035, 2.9)
Show SMILES Cn1c2c3C(NCCn3c(-c3cccc(c3)C#N)c2c(=O)n(C)c1=O)c1ccc(Cl)o1
Show InChI InChI=1S/C22H18ClN5O3/c1-26-19-16(21(29)27(2)22(26)30)18(13-5-3-4-12(10-13)11-24)28-9-8-25-17(20(19)28)14-6-7-15(23)31-14/h3-7,10,17,25H,8-9H2,1-2H3
Affinity DataIC50: 0.590nMAssay Description:CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Cricetulus griseus (Chinese hamster))
Novartis AG

US Patent
LigandPNGBDBM221990(US9303035, 12)
Show SMILES CC1Cn2c(C(O1)c1nc(C)cs1)c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1
Show InChI InChI=1S/C22H22N4O3S/c1-12-11-30-20(23-12)19-18-17-15(21(27)25(4)22(28)24(17)3)16(14-8-6-5-7-9-14)26(18)10-13(2)29-19/h5-9,11,13,19H,10H2,1-4H3
Affinity DataIC50: 0.600nMAssay Description:CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Cricetulus griseus (Chinese hamster))
Novartis AG

US Patent
LigandPNGBDBM221985(US9303035, 7.1a)
Show SMILES Cn1c2c3[C@H](O[C@H](CO)Cn3c(-c3nc(CO)cs3)c2c(=O)n(C)c1=O)c1ccc(Cl)o1
Show InChI InChI=1S/C20H19ClN4O6S/c1-23-14-13(19(28)24(2)20(23)29)15(18-22-9(6-26)8-32-18)25-5-10(7-27)30-17(16(14)25)11-3-4-12(21)31-11/h3-4,8,10,17,26-27H,5-7H2,1-2H3/t10-,17+/m0/s1
Affinity DataIC50: 0.610nMAssay Description:CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Cricetulus griseus (Chinese hamster))
Novartis AG

US Patent
LigandPNGBDBM221994(US9303035, 12.5)
Show SMILES Cn1c2c3C(OC(C)(C)Cn3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1ccc(Cl)o1
Show InChI InChI=1S/C23H22ClN3O4/c1-23(2)12-27-17(13-8-6-5-7-9-13)16-18(25(3)22(29)26(4)21(16)28)19(27)20(31-23)14-10-11-15(24)30-14/h5-11,20H,12H2,1-4H3
Affinity DataIC50: 0.620nMAssay Description:CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Cricetulus griseus (Chinese hamster))
Novartis AG

US Patent
LigandPNGBDBM221970(US9303035, 3.2)
Show SMILES Cc1csc(n1)C1NCCn2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1cccc(Cl)c1
Show InChI InChI=1S/C21H20ClN5O2S/c1-11-10-30-19(24-11)15-18-17-14(20(28)26(3)21(29)25(17)2)16(27(18)8-7-23-15)12-5-4-6-13(22)9-12/h4-6,9-10,15,23H,7-8H2,1-3H3
Affinity DataIC50: 0.640nMAssay Description:CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Cricetulus griseus (Chinese hamster))
Novartis AG

US Patent
LigandPNGBDBM221969(US9303035, 3.1)
Show SMILES Cn1c2c3C(NCCn3c(-c3cccc(Cl)c3)c2c(=O)n(C)c1=O)c1ccc(Cl)o1
Show InChI InChI=1S/C21H18Cl2N4O3/c1-25-18-15(20(28)26(2)21(25)29)17(11-4-3-5-12(22)10-11)27-9-8-24-16(19(18)27)13-6-7-14(23)30-13/h3-7,10,16,24H,8-9H2,1-2H3
Affinity DataIC50: 0.700nMAssay Description:CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Cricetulus griseus (Chinese hamster))
Novartis AG

US Patent
LigandPNGBDBM221952(US9303035, 1.2)
Show SMILES Cn1c2c3C(NCCn3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1ccco1
Show InChI InChI=1S/C21H20N4O3/c1-23-18-15(20(26)24(2)21(23)27)17(13-7-4-3-5-8-13)25-11-10-22-16(19(18)25)14-9-6-12-28-14/h3-9,12,16,22H,10-11H2,1-2H3
Affinity DataIC50: 1.58nMAssay Description:CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Cricetulus griseus (Chinese hamster))
Novartis AG

US Patent
LigandPNGBDBM221958(US9303035, 1.26)
Show SMILES Cc1csc(n1)-c1n2CCNC(c3ccc(Cl)o3)c2c2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C19H18ClN5O3S/c1-9-8-29-17(22-9)15-12-14(23(2)19(27)24(3)18(12)26)16-13(21-6-7-25(15)16)10-4-5-11(20)28-10/h4-5,8,13,21H,6-7H2,1-3H3
Affinity DataIC50: 1.90nMAssay Description:CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Cricetulus griseus (Chinese hamster))
Novartis AG

US Patent
LigandPNGBDBM221996(US9303035, 14)
Show SMILES Cn1c2c3C(COC(CO)Cn3c(-c3cccc(c3)C#N)c2c(=O)n(C)c1=O)c1nc(Cl)cs1
Show InChI InChI=1S/C23H20ClN5O4S/c1-27-20-17(22(31)28(2)23(27)32)18(13-5-3-4-12(6-13)7-25)29-8-14(9-30)33-10-15(19(20)29)21-26-16(24)11-34-21/h3-6,11,14-15,30H,8-10H2,1-2H3
Affinity DataIC50: 1.96nMAssay Description:CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Cricetulus griseus (Chinese hamster))
Novartis AG

US Patent
LigandPNGBDBM221978(US9303035, 4.1 | US9303035, 4.3)
Show SMILES Cc1ccc(o1)C1OCCn2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1
Show InChI InChI=1S/C22H21N3O4/c1-13-9-10-15(29-13)20-19-18-16(21(26)24(3)22(27)23(18)2)17(25(19)11-12-28-20)14-7-5-4-6-8-14/h4-10,20H,11-12H2,1-3H3
Affinity DataIC50: 3.16nMAssay Description:CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Cricetulus griseus (Chinese hamster))
Novartis AG

US Patent
LigandPNGBDBM221981(US9303035, 5.1)
Show SMILES C[C@@H]1COC(c2nc(C)cs2)c2n1c(-c1ccccc1)c1c2n(C)c(=O)n(C)c1=O
Show InChI InChI=1S/C22H22N4O3S/c1-12-11-30-20(23-12)19-18-17-15(21(27)25(4)22(28)24(17)3)16(14-8-6-5-7-9-14)26(18)13(2)10-29-19/h5-9,11,13,19H,10H2,1-4H3/t13-,19?/m1/s1
Affinity DataIC50: 3.24nMAssay Description:CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Cricetulus griseus (Chinese hamster))
Novartis AG

US Patent
LigandPNGBDBM221995(US9303035, 13)
Show SMILES Cn1c2c3C(COCCn3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1nc(Cl)cs1
Show InChI InChI=1S/C21H19ClN4O3S/c1-24-18-15(20(27)25(2)21(24)28)16(12-6-4-3-5-7-12)26-8-9-29-10-13(17(18)26)19-23-14(22)11-30-19/h3-7,11,13H,8-10H2,1-2H3
Affinity DataIC50: 3.53nMAssay Description:CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
Punjabi University

Curated by ChEMBL
LigandPNGBDBM50434312(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
Affinity DataIC50: 4nMAssay Description:Inhibition of wild type human CFTR chloride conductance expressed in forskolin-stimulated rat FRT cells by short-circuit current analysis in presence...More data for this Ligand-Target Pair
TargetCystic fibrosis transmembrane conductance regulator(Cricetulus griseus (Chinese hamster))
Novartis AG

US Patent
LigandPNGBDBM221978(US9303035, 4.1 | US9303035, 4.3)
Show SMILES Cc1ccc(o1)C1OCCn2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1
Show InChI InChI=1S/C22H21N3O4/c1-13-9-10-15(29-13)20-19-18-16(21(26)24(3)22(27)23(18)2)17(25(19)11-12-28-20)14-7-5-4-6-8-14/h4-10,20H,11-12H2,1-3H3
Affinity DataIC50: 4.23nMAssay Description:CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Cricetulus griseus (Chinese hamster))
Novartis AG

US Patent
LigandPNGBDBM221934(US9303035, 1.1)
Show SMILES Cc1ccc(o1)C1NCCn2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1
Show InChI InChI=1S/C22H22N4O3/c1-13-9-10-15(29-13)17-20-19-16(21(27)25(3)22(28)24(19)2)18(26(20)12-11-23-17)14-7-5-4-6-8-14/h4-10,17,23H,11-12H2,1-3H3
Affinity DataIC50: 4.64nMAssay Description:CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Cricetulus griseus (Chinese hamster))
Novartis AG

US Patent
LigandPNGBDBM221941(US9303035, 1.9 | US9303035, 2.4)
Show SMILES Cn1c2c3C(NCCn3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1nc(cs1)C(F)(F)F
Show InChI InChI=1S/C21H18F3N5O2S/c1-27-16-13(19(30)28(2)20(27)31)15(11-6-4-3-5-7-11)29-9-8-25-14(17(16)29)18-26-12(10-32-18)21(22,23)24/h3-7,10,14,25H,8-9H2,1-2H3
Affinity DataIC50: 4.98nMAssay Description:CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
Punjabi University

Curated by ChEMBL
LigandPNGBDBM50343996(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
Affinity DataIC50: 5nMAssay Description:Inhibition of wild type CFTR expressed in CHO cells by [125I]iodide efflux assayMore data for this Ligand-Target Pair
TargetCystic fibrosis transmembrane conductance regulator(Cricetulus griseus (Chinese hamster))
Novartis AG

US Patent
LigandPNGBDBM221991(US9303035, 12.1)
Show SMILES CC1Cn2c(C(O1)c1ccc(Cl)o1)c1n(C)c(=O)n(C)c(=O)c1c2-c1cccc(C)c1
Show InChI InChI=1S/C23H22ClN3O4/c1-12-6-5-7-14(10-12)18-17-19(25(3)23(29)26(4)22(17)28)20-21(15-8-9-16(24)31-15)30-13(2)11-27(18)20/h5-10,13,21H,11H2,1-4H3
Affinity DataIC50: 5.07nMAssay Description:CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Cricetulus griseus (Chinese hamster))
Novartis AG

US Patent
LigandPNGBDBM221939(US9303035, 1.7)
Show SMILES Cn1c2c3C(NCCn3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1nccs1
Show InChI InChI=1S/C20H19N5O2S/c1-23-16-13(19(26)24(2)20(23)27)15(12-6-4-3-5-7-12)25-10-8-21-14(17(16)25)18-22-9-11-28-18/h3-7,9,11,14,21H,8,10H2,1-2H3
Affinity DataIC50: 5.42nMAssay Description:CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Cricetulus griseus (Chinese hamster))
Novartis AG

US Patent
LigandPNGBDBM221941(US9303035, 1.9 | US9303035, 2.4)
Show SMILES Cn1c2c3C(NCCn3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1nc(cs1)C(F)(F)F
Show InChI InChI=1S/C21H18F3N5O2S/c1-27-16-13(19(30)28(2)20(27)31)15(11-6-4-3-5-7-11)29-9-8-25-14(17(16)29)18-26-12(10-32-18)21(22,23)24/h3-7,10,14,25H,8-9H2,1-2H3
Affinity DataIC50: 6.31nMAssay Description:CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Cricetulus griseus (Chinese hamster))
Novartis AG

US Patent
LigandPNGBDBM221942(US9303035, 1.10)
Show SMILES CCc1ccc(o1)C1NCCn2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1
Show InChI InChI=1S/C23H24N4O3/c1-4-15-10-11-16(30-15)18-21-20-17(22(28)26(3)23(29)25(20)2)19(27(21)13-12-24-18)14-8-6-5-7-9-14/h5-11,18,24H,4,12-13H2,1-3H3
Affinity DataIC50: 6.37nMAssay Description:CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Cricetulus griseus (Chinese hamster))
Novartis AG

US Patent
LigandPNGBDBM221964(US9303035, 2.6)
Show SMILES Cn1c2c3C(NCCn3c(-c3ccccc3)c2c(=O)n(C)c1=O)C1CCCCC1
Show InChI InChI=1S/C23H28N4O2/c1-25-20-17(22(28)26(2)23(25)29)19(16-11-7-4-8-12-16)27-14-13-24-18(21(20)27)15-9-5-3-6-10-15/h4,7-8,11-12,15,18,24H,3,5-6,9-10,13-14H2,1-2H3
Affinity DataIC50: 7.62nMAssay Description:CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
Punjabi University

Curated by ChEMBL
LigandPNGBDBM50353351(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)
Affinity DataIC50: 8nMAssay Description:Inhibition of human wild-type CFTR expressed in FRT cells assessed as inhibition of forskolin-induced short-circuit current by voltage clamp electrop...More data for this Ligand-Target Pair
TargetCystic fibrosis transmembrane conductance regulator(Cricetulus griseus (Chinese hamster))
Novartis AG

US Patent
LigandPNGBDBM221988(US9303035, 9b)
Show SMILES Cn1c2c3C(OC(CO)Cn3c(-c3cccc(c3)C#N)c2c(=O)n(C)c1=O)c1nc(Cl)cs1
Show InChI InChI=1S/C22H18ClN5O4S/c1-26-17-15(21(30)27(2)22(26)31)16(12-5-3-4-11(6-12)7-24)28-8-13(9-29)32-19(18(17)28)20-25-14(23)10-33-20/h3-6,10,13,19,29H,8-9H2,1-2H3
Affinity DataIC50: 8.06nMAssay Description:CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Cricetulus griseus (Chinese hamster))
Novartis AG

US Patent
LigandPNGBDBM221974(US9303035, 3.6)
Show SMILES Cc1cc(C)cc(c1)-c1n2CCNC(c3ccc(Cl)o3)c2c2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C23H23ClN4O3/c1-12-9-13(2)11-14(10-12)19-17-20(26(3)23(30)27(4)22(17)29)21-18(25-7-8-28(19)21)15-5-6-16(24)31-15/h5-6,9-11,18,25H,7-8H2,1-4H3
Affinity DataIC50: 8.26nMAssay Description:CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Cricetulus griseus (Chinese hamster))
Novartis AG

US Patent
LigandPNGBDBM221944(US9303035, 1.12)
Show SMILES Cn1ccc(n1)C1NCCn2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1
Show InChI InChI=1S/C21H22N6O2/c1-24-11-9-14(23-24)16-19-18-15(20(28)26(3)21(29)25(18)2)17(27(19)12-10-22-16)13-7-5-4-6-8-13/h4-9,11,16,22H,10,12H2,1-3H3
Affinity DataIC50: 10.8nMAssay Description:CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Cricetulus griseus (Chinese hamster))
Novartis AG

US Patent
LigandPNGBDBM221946(US9303035, 1.14)
Show SMILES Cn1c2c3C(NCCn3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1cccc(F)c1F
Show InChI InChI=1S/C23H20F2N4O2/c1-27-20-16(22(30)28(2)23(27)31)19(13-7-4-3-5-8-13)29-12-11-26-18(21(20)29)14-9-6-10-15(24)17(14)25/h3-10,18,26H,11-12H2,1-2H3
Affinity DataIC50: 11.5nMAssay Description:CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
Punjabi University

Curated by ChEMBL
LigandPNGBDBM50343998((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)
Affinity DataIC50: 15nMAssay Description:Inhibition of wild type CFTR expressed in CHO cells by [125I]iodide efflux assayMore data for this Ligand-Target Pair
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
Punjabi University

Curated by ChEMBL
LigandPNGBDBM50343998((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)
Affinity DataIC50: 15nMAssay Description:Inhibition of wild type CFTR expressed in CHO cells by [125I]iodide efflux assayMore data for this Ligand-Target Pair
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
Punjabi University

Curated by ChEMBL
LigandPNGBDBM50343997(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
Affinity DataIC50: 16nMAssay Description:Inhibition of wild type CFTR expressed in CHO cells by [125I]iodide efflux assayMore data for this Ligand-Target Pair
TargetCystic fibrosis transmembrane conductance regulator(Cricetulus griseus (Chinese hamster))
Novartis AG

US Patent
LigandPNGBDBM221949(US9303035, 1.17)
Show SMILES Cn1c2c3C(NCCn3c(-c3ccccc3)c2c(=O)n(C)c1=O)C1CCC=CC1
Show InChI InChI=1S/C23H26N4O2/c1-25-20-17(22(28)26(2)23(25)29)19(16-11-7-4-8-12-16)27-14-13-24-18(21(20)27)15-9-5-3-6-10-15/h3-5,7-8,11-12,15,18,24H,6,9-10,13-14H2,1-2H3
Affinity DataIC50: 18.1nMAssay Description:CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
Punjabi University

Curated by ChEMBL
LigandPNGBDBM50353349(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
Affinity DataIC50: 25nMAssay Description:Inhibition of human wild-type CFTR expressed in FRT cells assessed as inhibition of forskolin-induced short-circuit current by voltage clamp electrop...More data for this Ligand-Target Pair
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
Punjabi University

Curated by ChEMBL
LigandPNGBDBM50353345(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
Affinity DataIC50: 25nMAssay Description:Inhibition of human wild-type CFTR expressed in FRT cells assessed as inhibition of forskolin-induced short-circuit current by voltage clamp electrop...More data for this Ligand-Target Pair
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
Punjabi University

Curated by ChEMBL
LigandPNGBDBM50353346(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
Affinity DataIC50: 25nMAssay Description:Inhibition of human wild-type CFTR expressed in FRT cells assessed as inhibition of forskolin-induced short-circuit current by voltage clamp electrop...More data for this Ligand-Target Pair
TargetCystic fibrosis transmembrane conductance regulator(Cricetulus griseus (Chinese hamster))
Novartis AG

US Patent
LigandPNGBDBM221955(US9303035, 1.23)
Show SMILES Cn1c2c3C(NCCn3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN4O2/c1-26-20-17(22(29)27(2)23(26)30)19(15-6-4-3-5-7-15)28-13-12-25-18(21(20)28)14-8-10-16(24)11-9-14/h3-11,18,25H,12-13H2,1-2H3
Affinity DataIC50: 29.9nMAssay Description:CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Cricetulus griseus (Chinese hamster))
Novartis AG

US Patent
LigandPNGBDBM221935(US9303035, 1.3)
Show SMILES Cc1ccc(o1)[C@H]1NCCn2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1
Show InChI InChI=1S/C22H22N4O3/c1-13-9-10-15(29-13)17-20-19-16(21(27)25(3)22(28)24(19)2)18(26(20)12-11-23-17)14-7-5-4-6-8-14/h4-10,17,23H,11-12H2,1-3H3/t17-/m1/s1
Affinity DataIC50: 30nMAssay Description:CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Cricetulus griseus (Chinese hamster))
Novartis AG

US Patent
LigandPNGBDBM221979(US9303035, 4.2)
Show SMILES Cn1c2c3[C@H](O[C@H](CO)Cn3c(-c3cccc(c3)C#N)c2c(=O)n(C)c1=O)c1nc(Cl)cs1
Show InChI InChI=1S/C22H18ClN5O4S/c1-26-17-15(21(30)27(2)22(26)31)16(12-5-3-4-11(6-12)7-24)28-8-13(9-29)32-19(18(17)28)20-25-14(23)10-33-20/h3-6,10,13,19,29H,8-9H2,1-2H3/t13-,19-/m0/s1
Affinity DataIC50: 30nMAssay Description:CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
Punjabi University

Curated by ChEMBL
LigandPNGBDBM300426(US10130622, Example 00005)
Show SMILES COCCS(=O)(=O)NC(=O)c1cc(N2CCC(COC)CC2)c2c(nn(-c3ccc(F)cc3)c2n1)C(C)C
Show InChI InChI=1S/C26H34FN5O5S/c1-17(2)24-23-22(31-11-9-18(10-12-31)16-37-4)15-21(26(33)30-38(34,35)14-13-36-3)28-25(23)32(29-24)20-7-5-19(27)6-8-20/h5-8,15,17-18H,9-14,16H2,1-4H3,(H,30,33)
Affinity DataIC50: 40nMAssay Description:For this purpose, HEK293 cells are transfected with plasmid DNA containing WT CFTR and seeded in 96 well plates (70,000 HEK cells/well). Two days aft...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
Punjabi University

Curated by ChEMBL
LigandPNGBDBM50353351(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)
Affinity DataIC50: 40nMAssay 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...More data for this Ligand-Target Pair
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
Punjabi University

Curated by ChEMBL
LigandPNGBDBM50353349(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
Affinity DataIC50: 50nMAssay 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...More data for this Ligand-Target Pair
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
Punjabi University

Curated by ChEMBL
LigandPNGBDBM50353338(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
Affinity DataIC50: 50nMAssay Description:Inhibition of human wild-type CFTR expressed in FRT cells assessed as inhibition of forskolin-induced short-circuit current by voltage clamp electrop...More data for this Ligand-Target Pair
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