Compile Data Set for Download or QSAR
Found 35 Enz. Inhib. hit(s) with all data for entry = 50012311
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50556419(CHEMBL4753652)
Show SMILES O=C(Nc1ccccc1)c1sc(NC(=O)C2(CC2)c2ccc3OCOc3c2)nc1-c1ccccc1
Show InChI InChI=1S/C27H21N3O4S/c31-24(28-19-9-5-2-6-10-19)23-22(17-7-3-1-4-8-17)29-26(35-23)30-25(32)27(13-14-27)18-11-12-20-21(15-18)34-16-33-20/h1-12,15H,13-14,16H2,(H,28,31)(H,29,30,32)
Affinity DataEC50:  1.26E+3nMAssay Description:Correction activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o- cells coexpressing HS-YFP preincubated for 24 hrs followed by forsk...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50289703(Lumacaftor | VRT 826809 | VRT-826809 | VX 809 | VX...)
Show SMILES Cc1ccc(NC(=O)C2(CC2)c2ccc3OC(F)(F)Oc3c2)nc1-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C24H18F2N2O5/c1-13-5-8-19(27-20(13)14-3-2-4-15(11-14)21(29)30)28-22(31)23(9-10-23)16-6-7-17-18(12-16)33-24(25,26)32-17/h2-8,11-12H,9-10H2,1H3,(H,29,30)(H,27,28,31)
Affinity DataKd:  7.28E+4nMAssay Description:Binding affinity to His-tagged human CFTR-F508del mutant by surface plasmon resonance assayMore data for this Ligand-Target Pair
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50556421(CHEMBL4781649)
Show SMILES Cc1ccc(cc1)C(=O)c1cnc(NC(=O)C2(CC2)c2ccc3OCOc3c2)s1
Show InChI InChI=1S/C22H18N2O4S/c1-13-2-4-14(5-3-13)19(25)18-11-23-21(29-18)24-20(26)22(8-9-22)15-6-7-16-17(10-15)28-12-27-16/h2-7,10-11H,8-9,12H2,1H3,(H,23,24,26)
Affinity DataEC50:  2.57E+3nMAssay Description:Correction activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o- cells coexpressing HS-YFP preincubated for 24 hrs followed by forsk...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50556422(CHEMBL4779543)
Show SMILES COc1ccc(cc1)C(=O)c1cnc(NC(=O)C2(CC2)c2ccc3OCOc3c2)s1
Show InChI InChI=1S/C22H18N2O5S/c1-27-15-5-2-13(3-6-15)19(25)18-11-23-21(30-18)24-20(26)22(8-9-22)14-4-7-16-17(10-14)29-12-28-16/h2-7,10-11H,8-9,12H2,1H3,(H,23,24,26)
Affinity DataEC50:  9.30E+3nMAssay Description:Correction activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o- cells coexpressing HS-YFP preincubated for 24 hrs followed by forsk...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50556423(CHEMBL4748761)
Show SMILES CSc1ccc(cc1)C(=O)c1sc(NC(=O)C2(CC2)c2ccc3OCOc3c2)nc1-c1ccccc1
Show InChI InChI=1S/C28H22N2O4S2/c1-35-20-10-7-18(8-11-20)24(31)25-23(17-5-3-2-4-6-17)29-27(36-25)30-26(32)28(13-14-28)19-9-12-21-22(15-19)34-16-33-21/h2-12,15H,13-14,16H2,1H3,(H,29,30,32)
Affinity DataEC50:  100nMAssay Description:Correction activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o- cells coexpressing HS-YFP preincubated for 24 hrs followed by forsk...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50556424(CHEMBL4751090)
Show SMILES Brc1ccc(cc1)C(=O)c1sc(NC(=O)C2(CC2)c2ccc3OCOc3c2)nc1-c1ccccc1
Show InChI InChI=1S/C27H19BrN2O4S/c28-19-9-6-17(7-10-19)23(31)24-22(16-4-2-1-3-5-16)29-26(35-24)30-25(32)27(12-13-27)18-8-11-20-21(14-18)34-15-33-20/h1-11,14H,12-13,15H2,(H,29,30,32)
Affinity DataEC50:  530nMAssay Description:Correction activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o- cells coexpressing HS-YFP preincubated for 24 hrs followed by forsk...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50556425(CHEMBL4754741)
Show SMILES CCOC(=O)c1ccc(cc1)C(=O)c1sc(NC(=O)C2(CC2)c2ccc3OCOc3c2)nc1-c1ccccc1
Show InChI InChI=1S/C30H24N2O6S/c1-2-36-27(34)20-10-8-19(9-11-20)25(33)26-24(18-6-4-3-5-7-18)31-29(39-26)32-28(35)30(14-15-30)21-12-13-22-23(16-21)38-17-37-22/h3-13,16H,2,14-15,17H2,1H3,(H,31,32,35)
Affinity DataEC50:  410nMAssay Description:Correction activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o- cells coexpressing HS-YFP preincubated for 24 hrs followed by forsk...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50556426(CHEMBL4789667)
Show SMILES OC(=O)c1ccc(cc1)C(=O)c1sc(NC(=O)C2(CC2)c2ccc3OCOc3c2)nc1-c1ccccc1
Show InChI InChI=1S/C28H20N2O6S/c31-23(17-6-8-18(9-7-17)25(32)33)24-22(16-4-2-1-3-5-16)29-27(37-24)30-26(34)28(12-13-28)19-10-11-20-21(14-19)36-15-35-20/h1-11,14H,12-13,15H2,(H,32,33)(H,29,30,34)
Affinity DataEC50:  7.31E+3nMAssay Description:Correction activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o- cells coexpressing HS-YFP preincubated for 24 hrs followed by forsk...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50556427(CHEMBL4786568)
Show SMILES CCN(CC)c1ccc(cc1)C(=O)c1sc(NC(=O)C2(CC2)c2ccc3OCOc3c2)nc1-c1ccccc1
Show InChI InChI=1S/C31H29N3O4S/c1-3-34(4-2)23-13-10-21(11-14-23)27(35)28-26(20-8-6-5-7-9-20)32-30(39-28)33-29(36)31(16-17-31)22-12-15-24-25(18-22)38-19-37-24/h5-15,18H,3-4,16-17,19H2,1-2H3,(H,32,33,36)
Affinity DataEC50:  210nMAssay Description:Correction activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o- cells coexpressing HS-YFP preincubated for 24 hrs followed by forsk...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50556428(CHEMBL4796687)
Show SMILES CCCCCc1ccc(cc1)C(=O)c1sc(NC(=O)C2(CC2)c2ccc3OCOc3c2)nc1-c1ccccc1
Show InChI InChI=1S/C32H30N2O4S/c1-2-3-5-8-21-11-13-23(14-12-21)28(35)29-27(22-9-6-4-7-10-22)33-31(39-29)34-30(36)32(17-18-32)24-15-16-25-26(19-24)38-20-37-25/h4,6-7,9-16,19H,2-3,5,8,17-18,20H2,1H3,(H,33,34,36)
Affinity DataEC50:  430nMAssay Description:Correction activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o- cells coexpressing HS-YFP preincubated for 24 hrs followed by forsk...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50556429(CHEMBL4759522)
Show SMILES COc1ccc(cc1)C(=O)c1sc(NC(=O)C2(CC2)c2ccc3OCOc3c2)nc1-c1ccccc1
Show InChI InChI=1S/C28H22N2O5S/c1-33-20-10-7-18(8-11-20)24(31)25-23(17-5-3-2-4-6-17)29-27(36-25)30-26(32)28(13-14-28)19-9-12-21-22(15-19)35-16-34-21/h2-12,15H,13-14,16H2,1H3,(H,29,30,32)
Affinity DataEC50:  450nMAssay Description:Correction activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o- cells coexpressing HS-YFP preincubated for 24 hrs followed by forsk...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50556430(CHEMBL4746792)
Show SMILES FC(F)(F)Oc1ccc(cc1)C(=O)c1sc(NC(=O)C2(CC2)c2ccc3OCOc3c2)nc1-c1ccccc1
Show InChI InChI=1S/C28H19F3N2O5S/c29-28(30,31)38-19-9-6-17(7-10-19)23(34)24-22(16-4-2-1-3-5-16)32-26(39-24)33-25(35)27(12-13-27)18-8-11-20-21(14-18)37-15-36-20/h1-11,14H,12-13,15H2,(H,32,33,35)
Affinity DataEC50:  360nMAssay Description:Correction activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o- cells coexpressing HS-YFP preincubated for 24 hrs followed by forsk...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50556431(CHEMBL4762900)
Show SMILES CCCOc1ccc(cc1)C(=O)c1sc(NC(=O)C2(CC2)c2ccc3OCOc3c2)nc1-c1ccccc1
Show InChI InChI=1S/C30H26N2O5S/c1-2-16-35-22-11-8-20(9-12-22)26(33)27-25(19-6-4-3-5-7-19)31-29(38-27)32-28(34)30(14-15-30)21-10-13-23-24(17-21)37-18-36-23/h3-13,17H,2,14-16,18H2,1H3,(H,31,32,34)
Affinity DataEC50:  17nMAssay Description:Correction activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o- cells coexpressing HS-YFP preincubated for 24 hrs followed by forsk...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50556432(CHEMBL4742255)
Show SMILES CCCOc1cccc(c1)C(=O)c1sc(NC(=O)C2(CC2)c2ccc3OCOc3c2)nc1-c1ccccc1
Show InChI InChI=1S/C30H26N2O5S/c1-2-15-35-22-10-6-9-20(16-22)26(33)27-25(19-7-4-3-5-8-19)31-29(38-27)32-28(34)30(13-14-30)21-11-12-23-24(17-21)37-18-36-23/h3-12,16-17H,2,13-15,18H2,1H3,(H,31,32,34)
Affinity DataEC50:  160nMAssay Description:Correction activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o- cells coexpressing HS-YFP preincubated for 24 hrs followed by forsk...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50556433(CHEMBL4752374)
Show SMILES O=C(Nc1nc(c(s1)C(=O)c1ccc(cc1)-c1cccs1)-c1ccccc1)C1(CC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C31H22N2O4S2/c34-27(21-10-8-19(9-11-21)25-7-4-16-38-25)28-26(20-5-2-1-3-6-20)32-30(39-28)33-29(35)31(14-15-31)22-12-13-23-24(17-22)37-18-36-23/h1-13,16-17H,14-15,18H2,(H,32,33,35)
Affinity DataEC50:  1.06E+3nMAssay Description:Correction activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o- cells coexpressing HS-YFP preincubated for 24 hrs followed by forsk...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50556434(CHEMBL4763661)
Show SMILES O=C(Nc1nc(c(s1)C(=O)c1ccc(cc1)-c1ccccc1)-c1ccccc1)C1(CC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C33H24N2O4S/c36-29(24-13-11-22(12-14-24)21-7-3-1-4-8-21)30-28(23-9-5-2-6-10-23)34-32(40-30)35-31(37)33(17-18-33)25-15-16-26-27(19-25)39-20-38-26/h1-16,19H,17-18,20H2,(H,34,35,37)
Affinity DataEC50:  70nMAssay Description:Correction activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o- cells coexpressing HS-YFP preincubated for 24 hrs followed by forsk...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50556435(CHEMBL4786072)
Show SMILES O=C(Nc1nc(c(s1)C(=O)c1ccc(cc1)N1CCCC1)-c1ccccc1)C1(CC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C31H27N3O4S/c35-27(21-8-11-23(12-9-21)34-16-4-5-17-34)28-26(20-6-2-1-3-7-20)32-30(39-28)33-29(36)31(14-15-31)22-10-13-24-25(18-22)38-19-37-24/h1-3,6-13,18H,4-5,14-17,19H2,(H,32,33,36)
Affinity DataEC50:  370nMAssay Description:Correction activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o- cells coexpressing HS-YFP preincubated for 24 hrs followed by forsk...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50556436(CHEMBL4754263)
Show SMILES O=C(Nc1nc(c(s1)C(=O)c1cccc(c1)-c1ccccc1)-c1ccccc1)C1(CC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C33H24N2O4S/c36-29(24-13-7-12-23(18-24)21-8-3-1-4-9-21)30-28(22-10-5-2-6-11-22)34-32(40-30)35-31(37)33(16-17-33)25-14-15-26-27(19-25)39-20-38-26/h1-15,18-19H,16-17,20H2,(H,34,35,37)
Affinity DataEC50:  250nMAssay Description:Correction activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o- cells coexpressing HS-YFP preincubated for 24 hrs followed by forsk...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50556437(CHEMBL4749432)
Show SMILES COc1ccccc1C(=O)c1sc(NC(=O)C2(CC2)c2ccc3OCOc3c2)nc1-c1ccccc1
Show InChI InChI=1S/C28H22N2O5S/c1-33-20-10-6-5-9-19(20)24(31)25-23(17-7-3-2-4-8-17)29-27(36-25)30-26(32)28(13-14-28)18-11-12-21-22(15-18)35-16-34-21/h2-12,15H,13-14,16H2,1H3,(H,29,30,32)
Affinity DataEC50:  140nMAssay Description:Correction activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o- cells coexpressing HS-YFP preincubated for 24 hrs followed by forsk...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50556438(CHEMBL4746430)
Show SMILES COc1cccc(c1)C(=O)c1sc(NC(=O)C2(CC2)c2ccc3OCOc3c2)nc1-c1ccccc1
Show InChI InChI=1S/C28H22N2O5S/c1-33-20-9-5-8-18(14-20)24(31)25-23(17-6-3-2-4-7-17)29-27(36-25)30-26(32)28(12-13-28)19-10-11-21-22(15-19)35-16-34-21/h2-11,14-15H,12-13,16H2,1H3,(H,29,30,32)
Affinity DataEC50:  100nMAssay Description:Correction activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o- cells coexpressing HS-YFP preincubated for 24 hrs followed by forsk...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50556439(CHEMBL4800413)
Show SMILES Brc1cccc(c1)C(=O)c1sc(NC(=O)C2(CC2)c2ccc3OCOc3c2)nc1-c1ccccc1
Show InChI InChI=1S/C27H19BrN2O4S/c28-19-8-4-7-17(13-19)23(31)24-22(16-5-2-1-3-6-16)29-26(35-24)30-25(32)27(11-12-27)18-9-10-20-21(14-18)34-15-33-20/h1-10,13-14H,11-12,15H2,(H,29,30,32)
Affinity DataEC50:  180nMAssay Description:Correction activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o- cells coexpressing HS-YFP preincubated for 24 hrs followed by forsk...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50556440(CHEMBL4753660)
Show SMILES Fc1cccc(c1)C(=O)c1sc(NC(=O)C2(CC2)c2ccc3OCOc3c2)nc1-c1ccccc1
Show InChI InChI=1S/C27H19FN2O4S/c28-19-8-4-7-17(13-19)23(31)24-22(16-5-2-1-3-6-16)29-26(35-24)30-25(32)27(11-12-27)18-9-10-20-21(14-18)34-15-33-20/h1-10,13-14H,11-12,15H2,(H,29,30,32)
Affinity DataEC50:  130nMAssay Description:Correction activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o- cells coexpressing HS-YFP preincubated for 24 hrs followed by forsk...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50556441(CHEMBL4776895)
Show SMILES COc1ccc(OC)c(c1)C(=O)c1sc(NC(=O)C2(CC2)c2ccc3OCOc3c2)nc1-c1ccccc1
Show InChI InChI=1S/C29H24N2O6S/c1-34-19-9-11-21(35-2)20(15-19)25(32)26-24(17-6-4-3-5-7-17)30-28(38-26)31-27(33)29(12-13-29)18-8-10-22-23(14-18)37-16-36-22/h3-11,14-15H,12-13,16H2,1-2H3,(H,30,31,33)
Affinity DataEC50:  110nMAssay Description:Correction activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o- cells coexpressing HS-YFP preincubated for 24 hrs followed by forsk...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50556442(CHEMBL4788444)
Show SMILES COc1ccc(C(=O)c2sc(NC(=O)C3(CC3)c3ccc4OCOc4c3)nc2-c2ccccc2)c(OC)c1
Show InChI InChI=1S/C29H24N2O6S/c1-34-19-9-10-20(22(15-19)35-2)25(32)26-24(17-6-4-3-5-7-17)30-28(38-26)31-27(33)29(12-13-29)18-8-11-21-23(14-18)37-16-36-21/h3-11,14-15H,12-13,16H2,1-2H3,(H,30,31,33)
Affinity DataEC50:  400nMAssay Description:Correction activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o- cells coexpressing HS-YFP preincubated for 24 hrs followed by forsk...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50556443(CHEMBL4793532)
Show SMILES COc1ccc(cc1Cl)C(=O)c1sc(NC(=O)C2(CC2)c2ccc3OCOc3c2)nc1-c1ccccc1
Show InChI InChI=1S/C28H21ClN2O5S/c1-34-20-9-7-17(13-19(20)29)24(32)25-23(16-5-3-2-4-6-16)30-27(37-25)31-26(33)28(11-12-28)18-8-10-21-22(14-18)36-15-35-21/h2-10,13-14H,11-12,15H2,1H3,(H,30,31,33)
Affinity DataEC50:  410nMAssay Description:Correction activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o- cells coexpressing HS-YFP preincubated for 24 hrs followed by forsk...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50556444(CHEMBL4751995)
Show SMILES Oc1ccc(cc1CC=C)C(=O)c1sc(NC(=O)C2(CC2)c2ccc3OCOc3c2)nc1-c1ccccc1
Show InChI InChI=1S/C30H24N2O5S/c1-2-6-19-15-20(9-11-22(19)33)26(34)27-25(18-7-4-3-5-8-18)31-29(38-27)32-28(35)30(13-14-30)21-10-12-23-24(16-21)37-17-36-23/h2-5,7-12,15-16,33H,1,6,13-14,17H2,(H,31,32,35)
Affinity DataEC50:  280nMAssay Description:Correction activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o- cells coexpressing HS-YFP preincubated for 24 hrs followed by forsk...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50556445(CHEMBL4753762)
Show SMILES NC(=O)c1cc(ccc1O)C(=O)c1sc(NC(=O)C2(CC2)c2ccc3OCOc3c2)nc1-c1ccccc1
Show InChI InChI=1S/C28H21N3O6S/c29-25(34)18-12-16(6-8-19(18)32)23(33)24-22(15-4-2-1-3-5-15)30-27(38-24)31-26(35)28(10-11-28)17-7-9-20-21(13-17)37-14-36-20/h1-9,12-13,32H,10-11,14H2,(H2,29,34)(H,30,31,35)
Affinity DataEC50:  1.37E+4nMAssay Description:Correction activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o- cells coexpressing HS-YFP preincubated for 24 hrs followed by forsk...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50556446(CHEMBL4764388)
Show SMILES Oc1ccc(Cl)cc1C(=O)c1sc(NC(=O)C2(CC2)c2ccc3OCOc3c2)nc1-c1ccccc1
Show InChI InChI=1S/C27H19ClN2O5S/c28-17-7-8-19(31)18(13-17)23(32)24-22(15-4-2-1-3-5-15)29-26(36-24)30-25(33)27(10-11-27)16-6-9-20-21(12-16)35-14-34-20/h1-9,12-13,31H,10-11,14H2,(H,29,30,33)
Affinity DataEC50:  1.60E+3nMAssay Description:Correction activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o- cells coexpressing HS-YFP preincubated for 24 hrs followed by forsk...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50556447(CHEMBL4752107)
Show SMILES O=C(Nc1nc(c(s1)C(=O)c1ccc2OCOc2c1)-c1ccccc1)C1(CC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C28H20N2O6S/c31-24(17-6-8-19-21(12-17)35-14-33-19)25-23(16-4-2-1-3-5-16)29-27(37-25)30-26(32)28(10-11-28)18-7-9-20-22(13-18)36-15-34-20/h1-9,12-13H,10-11,14-15H2,(H,29,30,32)
Affinity DataEC50:  110nMAssay Description:Correction activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o- cells coexpressing HS-YFP preincubated for 24 hrs followed by forsk...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50556448(CHEMBL4755069)
Show SMILES CC(=O)c1sc(NC(=O)C2(CC2)c2ccc3OCOc3c2)nc1-c1ccccc1
Show InChI InChI=1S/C22H18N2O4S/c1-13(25)19-18(14-5-3-2-4-6-14)23-21(29-19)24-20(26)22(9-10-22)15-7-8-16-17(11-15)28-12-27-16/h2-8,11H,9-10,12H2,1H3,(H,23,24,26)
Affinity DataEC50:  2.72E+3nMAssay Description:Correction activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o- cells coexpressing HS-YFP preincubated for 24 hrs followed by forsk...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50556449(CHEMBL4758104)
Show SMILES O=C(Nc1nc(c(s1)C(=O)c1cccnc1)-c1ccccc1)C1(CC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H19N3O4S/c30-22(17-7-4-12-27-14-17)23-21(16-5-2-1-3-6-16)28-25(34-23)29-24(31)26(10-11-26)18-8-9-19-20(13-18)33-15-32-19/h1-9,12-14H,10-11,15H2,(H,28,29,31)
Affinity DataEC50:  790nMAssay Description:Correction activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o- cells coexpressing HS-YFP preincubated for 24 hrs followed by forsk...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50556450(CHEMBL4764081)
Show SMILES O=C(Nc1nc(c(s1)C(=O)N1CCOCC1)-c1ccccc1)C1(CC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C25H23N3O5S/c29-22(28-10-12-31-13-11-28)21-20(16-4-2-1-3-5-16)26-24(34-21)27-23(30)25(8-9-25)17-6-7-18-19(14-17)33-15-32-18/h1-7,14H,8-13,15H2,(H,26,27,30)
Affinity DataEC50:  8.50E+3nMAssay Description:Correction activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o- cells coexpressing HS-YFP preincubated for 24 hrs followed by forsk...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50556431(CHEMBL4762900)
Show SMILES CCCOc1ccc(cc1)C(=O)c1sc(NC(=O)C2(CC2)c2ccc3OCOc3c2)nc1-c1ccccc1
Show InChI InChI=1S/C30H26N2O5S/c1-2-16-35-22-11-8-20(9-12-22)26(33)27-25(19-6-4-3-5-7-19)31-29(38-27)32-28(34)30(14-15-30)21-10-13-23-24(17-21)37-18-36-23/h3-13,17H,2,14-16,18H2,1H3,(H,31,32,34)
Affinity DataKd:  3.82E+4nMAssay Description:Binding affinity to His-tagged human CFTR-F508del mutant by surface plasmon resonance assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50556434(CHEMBL4763661)
Show SMILES O=C(Nc1nc(c(s1)C(=O)c1ccc(cc1)-c1ccccc1)-c1ccccc1)C1(CC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C33H24N2O4S/c36-29(24-13-11-22(12-14-24)21-7-3-1-4-8-21)30-28(23-9-5-2-6-10-23)34-32(40-30)35-31(37)33(17-18-33)25-15-16-26-27(19-25)39-20-38-26/h1-16,19H,17-18,20H2,(H,34,35,37)
Affinity DataKd:  8.93E+4nMAssay Description:Binding affinity to His-tagged human CFTR-F508del mutant by surface plasmon resonance assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50556420(CHEMBL4747670)
Show SMILES COc1ccc(cc1)-c1nc(NC(=O)C2(CC2)c2ccc3OCOc3c2)sc1NC(=O)c1ccccc1
Show InChI InChI=1S/C28H23N3O5S/c1-34-20-10-7-17(8-11-20)23-25(30-24(32)18-5-3-2-4-6-18)37-27(29-23)31-26(33)28(13-14-28)19-9-12-21-22(15-19)36-16-35-21/h2-12,15H,13-14,16H2,1H3,(H,30,32)(H,29,31,33)
Affinity DataEC50:  1.76E+3nMAssay Description:Correction activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o- cells coexpressing HS-YFP preincubated for 24 hrs followed by forsk...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid