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PubMed code 26561003

Compile data set for download or QSAR
Found 25 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))		BDBM50290142
PNG
(CHEMBL3745838)
Show SMILES CC(=O)NC1CCN(CC1)c1nc(nc2CCN(Cc3ccc(Cl)cc3)Cc12)-c1ccccn1
Show InChI InChI=1S/C26H29ClN6O/c1-18(34)29-21-9-14-33(15-10-21)26-22-17-32(16-19-5-7-20(27)8-6-19)13-11-23(22)30-25(31-26)24-4-2-3-12-28-24/h2-8,12,21H,9-11,13-17H2,1H3,(H,29,34)
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n/an/an/an/a 700n/an/an/an/a



Siena Biotech S.p.A.

Curated by ChEMBL


Assay Description
Corrector activity at human CFTR F508 deletion mutant expressed in FRT cells incubated for 25 mins with forskolin by YFP-based fluorescence analysis ...

J Med Chem 58: 9697-711 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00771
BindingDB Entry DOI: 10.7270/Q2VD72FT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))		BDBM50290112
PNG
(CHEMBL3746756)
Show SMILES CN1CCN(CCCNc2nc(nc3CCN(Cc4ccccc4)Cc23)-c2ccccn2)CC1
Show InChI InChI=1S/C27H35N7/c1-32-16-18-33(19-17-32)14-7-13-29-26-23-21-34(20-22-8-3-2-4-9-22)15-11-24(23)30-27(31-26)25-10-5-6-12-28-25/h2-6,8-10,12H,7,11,13-21H2,1H3,(H,29,30,31)
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n/an/an/an/a 3.10E+3n/an/an/an/a



Siena Biotech S.p.A.

Curated by ChEMBL


Assay Description
Corrector activity at human CFTR F508 deletion mutant expressed in FRT cells incubated for 25 mins with forskolin by YFP-based fluorescence analysis ...

J Med Chem 58: 9697-711 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00771
BindingDB Entry DOI: 10.7270/Q2VD72FT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))		BDBM50289702
PNG
(CHEMBL3746059)
Show SMILES NC(=O)C1CCN(CC1)c1nc(nc2CCN(Cc3ccccc3)Cc12)-c1ccccn1
Show InChI InChI=1S/C25H28N6O/c26-23(32)19-9-14-31(15-10-19)25-20-17-30(16-18-6-2-1-3-7-18)13-11-21(20)28-24(29-25)22-8-4-5-12-27-22/h1-8,12,19H,9-11,13-17H2,(H2,26,32)
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n/an/an/an/a 1.40E+3n/an/an/an/a



Siena Biotech S.p.A.

Curated by ChEMBL


Assay Description
Corrector activity at human CFTR F508 deletion mutant expressed in FRT cells incubated for 25 mins with forskolin by YFP-based fluorescence analysis ...

J Med Chem 58: 9697-711 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00771
BindingDB Entry DOI: 10.7270/Q2VD72FT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))		BDBM50290127
PNG
(CHEMBL3747771)
Show SMILES CC(C)c1ccc(CN2CCc3nc(nc(N4CCN(CCN(C)C)CC4)c3C2)-c2ccccn2)cc1
Show InChI InChI=1S/C30H41N7/c1-23(2)25-10-8-24(9-11-25)21-36-14-12-27-26(22-36)30(33-29(32-27)28-7-5-6-13-31-28)37-19-17-35(18-20-37)16-15-34(3)4/h5-11,13,23H,12,14-22H2,1-4H3
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n/an/an/an/a 300n/an/an/an/a



Siena Biotech S.p.A.

Curated by ChEMBL


Assay Description
Corrector activity at human CFTR F508 deletion mutant expressed in FRT cells incubated for 25 mins with forskolin by YFP-based fluorescence analysis ...

J Med Chem 58: 9697-711 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00771
BindingDB Entry DOI: 10.7270/Q2VD72FT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))		BDBM50290120
PNG
(CHEMBL3747330)
Show SMILES COc1ccc(CN2CCc3nc(nc(N4CCC(CC4)C(N)=O)c3C2)-c2ccccn2)cc1
Show InChI InChI=1S/C26H30N6O2/c1-34-20-7-5-18(6-8-20)16-31-13-11-22-21(17-31)26(32-14-9-19(10-15-32)24(27)33)30-25(29-22)23-4-2-3-12-28-23/h2-8,12,19H,9-11,13-17H2,1H3,(H2,27,33)
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n/an/an/an/a 3.50E+3n/an/an/an/a



Siena Biotech S.p.A.

Curated by ChEMBL


Assay Description
Corrector activity at human CFTR F508 deletion mutant expressed in FRT cells incubated for 25 mins with forskolin by YFP-based fluorescence analysis ...

J Med Chem 58: 9697-711 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00771
BindingDB Entry DOI: 10.7270/Q2VD72FT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))		BDBM50290142
PNG
(CHEMBL3745838)
Show SMILES CC(=O)NC1CCN(CC1)c1nc(nc2CCN(Cc3ccc(Cl)cc3)Cc12)-c1ccccn1
Show InChI InChI=1S/C26H29ClN6O/c1-18(34)29-21-9-14-33(15-10-21)26-22-17-32(16-19-5-7-20(27)8-6-19)13-11-23(22)30-25(31-26)24-4-2-3-12-28-24/h2-8,12,21H,9-11,13-17H2,1H3,(H,29,34)
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n/an/an/an/a 1.90E+3n/an/an/an/a



Siena Biotech S.p.A.

Curated by ChEMBL


Assay Description
Corrector activity at human CFTR F508 deletion mutant expressed in human A549 cells incubated for 25 mins by YFP-based fluorescence analysis

J Med Chem 58: 9697-711 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00771
BindingDB Entry DOI: 10.7270/Q2VD72FT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))		BDBM50500249
PNG
(CHEMBL3747159)
Show SMILES Fc1ccc(CN2CCc3nc(nc(NCCN4CCCC4)c3C2)-c2ccccn2)cc1
Show InChI InChI=1S/C25H29FN6/c26-20-8-6-19(7-9-20)17-32-15-10-22-21(18-32)24(28-12-16-31-13-3-4-14-31)30-25(29-22)23-5-1-2-11-27-23/h1-2,5-9,11H,3-4,10,12-18H2,(H,28,29,30)
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n/an/an/an/a 500n/an/an/an/a



Siena Biotech S.p.A.

Curated by ChEMBL


Assay Description
Corrector activity at human CFTR F508 deletion mutant expressed in human A549 cells incubated for 25 mins by YFP-based fluorescence analysis

J Med Chem 58: 9697-711 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00771
BindingDB Entry DOI: 10.7270/Q2VD72FT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))		BDBM50290111
PNG
(CHEMBL3747654)
Show SMILES NC(=O)CN1CCN(CC1)c1nc(nc2CCN(Cc3ccccc3)Cc12)-c1ccccn1
Show InChI InChI=1S/C25H29N7O/c26-23(33)18-30-12-14-32(15-13-30)25-20-17-31(16-19-6-2-1-3-7-19)11-9-21(20)28-24(29-25)22-8-4-5-10-27-22/h1-8,10H,9,11-18H2,(H2,26,33)
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n/an/an/an/a 2.80E+3n/an/an/an/a



Siena Biotech S.p.A.

Curated by ChEMBL


Assay Description
Corrector activity at human CFTR F508 deletion mutant expressed in FRT cells incubated for 25 mins with forskolin by YFP-based fluorescence analysis ...

J Med Chem 58: 9697-711 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00771
BindingDB Entry DOI: 10.7270/Q2VD72FT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))		BDBM50500248
PNG
(CHEMBL3745927)
Show SMILES CC(=O)NCCNc1nc(nc2CCN(Cc3ccc(F)cc3)Cc12)-c1ccccn1
Show InChI InChI=1S/C23H25FN6O/c1-16(31)25-11-12-27-22-19-15-30(14-17-5-7-18(24)8-6-17)13-9-20(19)28-23(29-22)21-4-2-3-10-26-21/h2-8,10H,9,11-15H2,1H3,(H,25,31)(H,27,28,29)
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n/an/an/an/a 400n/an/an/an/a



Siena Biotech S.p.A.

Curated by ChEMBL


Assay Description
Corrector activity at human CFTR F508 deletion mutant expressed in human A549 cells incubated for 25 mins by YFP-based fluorescence analysis

J Med Chem 58: 9697-711 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00771
BindingDB Entry DOI: 10.7270/Q2VD72FT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))		BDBM50500249
PNG
(CHEMBL3747159)
Show SMILES Fc1ccc(CN2CCc3nc(nc(NCCN4CCCC4)c3C2)-c2ccccn2)cc1
Show InChI InChI=1S/C25H29FN6/c26-20-8-6-19(7-9-20)17-32-15-10-22-21(18-32)24(28-12-16-31-13-3-4-14-31)30-25(29-22)23-5-1-2-11-27-23/h1-2,5-9,11H,3-4,10,12-18H2,(H,28,29,30)
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Siena Biotech S.p.A.

Curated by ChEMBL


Assay Description
Corrector activity at human CFTR F508 deletion mutant expressed in FRT cells incubated for 25 mins with forskolin by YFP-based fluorescence analysis ...

J Med Chem 58: 9697-711 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00771
BindingDB Entry DOI: 10.7270/Q2VD72FT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))		BDBM50290141
PNG
(CHEMBL3746547)
Show SMILES COc1ccc(CN2CCc3nc(nc(NCCCn4ccnc4)c3C2)-c2ccccn2)cc1
Show InChI InChI=1S/C26H29N7O/c1-34-21-8-6-20(7-9-21)17-33-15-10-23-22(18-33)25(29-12-4-14-32-16-13-27-19-32)31-26(30-23)24-5-2-3-11-28-24/h2-3,5-9,11,13,16,19H,4,10,12,14-15,17-18H2,1H3,(H,29,30,31)
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n/an/an/an/a 200n/an/an/an/a



Siena Biotech S.p.A.

Curated by ChEMBL


Assay Description
Corrector activity at human CFTR F508 deletion mutant expressed in FRT cells incubated for 25 mins with forskolin by YFP-based fluorescence analysis ...

J Med Chem 58: 9697-711 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00771
BindingDB Entry DOI: 10.7270/Q2VD72FT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))		BDBM50289704
PNG
(CHEMBL260775)
Show SMILES COc1ccc(Cl)cc1Nc1nc(cs1)-c1sc(NC(=O)c2ccccc2)nc1C
Show InChI InChI=1S/C21H17ClN4O2S2/c1-12-18(30-21(23-12)26-19(27)13-6-4-3-5-7-13)16-11-29-20(25-16)24-15-10-14(22)8-9-17(15)28-2/h3-11H,1-2H3,(H,24,25)(H,23,26,27)
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n/an/an/an/a 1.10E+3n/an/an/an/a



Siena Biotech S.p.A.

Curated by ChEMBL


Assay Description
Corrector activity at human CFTR F508 deletion mutant expressed in FRT cells incubated for 25 mins with forskolin by YFP-based fluorescence analysis ...

J Med Chem 58: 9697-711 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00771
BindingDB Entry DOI: 10.7270/Q2VD72FT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))		BDBM50289705
PNG
(CHEMBL3745884)
Show SMILES OC1CCCN(C1)c1nc(nc2CCN(Cc3ccccc3)Cc12)-c1ccccn1
Show InChI InChI=1S/C24H27N5O/c30-19-9-6-13-29(16-19)24-20-17-28(15-18-7-2-1-3-8-18)14-11-21(20)26-23(27-24)22-10-4-5-12-25-22/h1-5,7-8,10,12,19,30H,6,9,11,13-17H2
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n/an/an/an/a 400n/an/an/an/a



Siena Biotech S.p.A.

Curated by ChEMBL


Assay Description
Corrector activity at human CFTR F508 deletion mutant expressed in human A549 cells incubated for 25 mins by YFP-based fluorescence analysis

J Med Chem 58: 9697-711 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00771
BindingDB Entry DOI: 10.7270/Q2VD72FT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))		BDBM50289705
PNG
(CHEMBL3745884)
Show SMILES OC1CCCN(C1)c1nc(nc2CCN(Cc3ccccc3)Cc12)-c1ccccn1
Show InChI InChI=1S/C24H27N5O/c30-19-9-6-13-29(16-19)24-20-17-28(15-18-7-2-1-3-8-18)14-11-21(20)26-23(27-24)22-10-4-5-12-25-22/h1-5,7-8,10,12,19,30H,6,9,11,13-17H2
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n/an/an/an/a 2.80E+3n/an/an/an/a



Siena Biotech S.p.A.

Curated by ChEMBL


Assay Description
Corrector activity at human CFTR F508 deletion mutant expressed in FRT cells incubated for 25 mins with forskolin by YFP-based fluorescence analysis ...

J Med Chem 58: 9697-711 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00771
BindingDB Entry DOI: 10.7270/Q2VD72FT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))		BDBM50290119
PNG
(CHEMBL3746769)
Show SMILES COc1ccc(CN2CCc3nc(nc(N4CCN(CCO)CC4)c3C2)-c2ccccn2)cc1
Show InChI InChI=1S/C26H32N6O2/c1-34-21-7-5-20(6-8-21)18-31-11-9-23-22(19-31)26(32-14-12-30(13-15-32)16-17-33)29-25(28-23)24-4-2-3-10-27-24/h2-8,10,33H,9,11-19H2,1H3
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Siena Biotech S.p.A.

Curated by ChEMBL


Assay Description
Corrector activity at human CFTR F508 deletion mutant expressed in FRT cells incubated for 25 mins with forskolin by YFP-based fluorescence analysis ...

J Med Chem 58: 9697-711 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00771
BindingDB Entry DOI: 10.7270/Q2VD72FT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))		BDBM50289706
PNG
(CHEMBL1257047)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(C)c1nc(OC2CCCCC2)c2ccccc2n1
Show InChI InChI=1S/C27H34N4O4S/c1-20(30-16-18-31(19-17-30)36(32,33)23-14-12-21(34-2)13-15-23)26-28-25-11-7-6-10-24(25)27(29-26)35-22-8-4-3-5-9-22/h6-7,10-15,20,22H,3-5,8-9,16-19H2,1-2H3
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n/an/an/an/a 2.20E+3n/an/an/an/a



Siena Biotech S.p.A.

Curated by ChEMBL


Assay Description
Corrector activity at human CFTR F508 deletion mutant expressed in FRT cells incubated for 25 mins with forskolin by YFP-based fluorescence analysis ...

J Med Chem 58: 9697-711 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00771
BindingDB Entry DOI: 10.7270/Q2VD72FT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))		BDBM50500248
PNG
(CHEMBL3745927)
Show SMILES CC(=O)NCCNc1nc(nc2CCN(Cc3ccc(F)cc3)Cc12)-c1ccccn1
Show InChI InChI=1S/C23H25FN6O/c1-16(31)25-11-12-27-22-19-15-30(14-17-5-7-18(24)8-6-17)13-9-20(19)28-23(29-22)21-4-2-3-10-26-21/h2-8,10H,9,11-15H2,1H3,(H,25,31)(H,27,28,29)
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Siena Biotech S.p.A.

Curated by ChEMBL


Assay Description
Corrector activity at human CFTR F508 deletion mutant expressed in FRT cells incubated for 25 mins with forskolin by YFP-based fluorescence analysis ...

J Med Chem 58: 9697-711 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00771
BindingDB Entry DOI: 10.7270/Q2VD72FT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))		BDBM50290122
PNG
(CHEMBL3746126)
Show SMILES CCN(C1CCN(C1)c1nc(nc2CCN(Cc3ccc(OC)cc3)Cc12)-c1ccccn1)C(C)=O
Show InChI InChI=1S/C28H34N6O2/c1-4-34(20(2)35)22-12-16-33(18-22)28-24-19-32(17-21-8-10-23(36-3)11-9-21)15-13-25(24)30-27(31-28)26-7-5-6-14-29-26/h5-11,14,22H,4,12-13,15-19H2,1-3H3
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n/an/an/an/a 300n/an/an/an/a



Siena Biotech S.p.A.

Curated by ChEMBL


Assay Description
Corrector activity at human CFTR F508 deletion mutant expressed in FRT cells incubated for 25 mins with forskolin by YFP-based fluorescence analysis ...

J Med Chem 58: 9697-711 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00771
BindingDB Entry DOI: 10.7270/Q2VD72FT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))		BDBM50289703
PNG
(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)
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n/an/an/an/a 2.60E+3n/an/an/an/a



Siena Biotech S.p.A.

Curated by ChEMBL


Assay Description
Corrector activity at human CFTR F508 deletion mutant expressed in FRT cells incubated for 25 mins with forskolin by YFP-based fluorescence analysis ...

J Med Chem 58: 9697-711 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00771
BindingDB Entry DOI: 10.7270/Q2VD72FT
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))		BDBM50290126
PNG
(CHEMBL3746133)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(nc2CCN(Cc3ccsc3)Cc12)-c1ccccn1
Show InChI InChI=1S/C25H33N7S/c1-29(2)10-11-30-12-14-32(15-13-30)25-21-18-31(17-20-7-16-33-19-20)9-6-22(21)27-24(28-25)23-5-3-4-8-26-23/h3-5,7-8,16,19H,6,9-15,17-18H2,1-2H3
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n/an/an/an/a 200n/an/an/an/a



Siena Biotech S.p.A.

Curated by ChEMBL


Assay Description
Corrector activity at human CFTR F508 deletion mutant expressed in FRT cells incubated for 25 mins with forskolin by YFP-based fluorescence analysis ...

J Med Chem 58: 9697-711 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00771
BindingDB Entry DOI: 10.7270/Q2VD72FT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))		BDBM50290136
PNG
(CHEMBL3747046)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(nc2CCN(Cc3ccccc3)Cc12)-c1ccccn1
Show InChI InChI=1S/C27H35N7/c1-31(2)14-15-32-16-18-34(19-17-32)27-23-21-33(20-22-8-4-3-5-9-22)13-11-24(23)29-26(30-27)25-10-6-7-12-28-25/h3-10,12H,11,13-21H2,1-2H3
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n/an/an/an/a 1.17E+4n/an/an/an/a



Siena Biotech S.p.A.

Curated by ChEMBL


Assay Description
Corrector activity at human CFTR F508 deletion mutant expressed in human A549 cells incubated for 25 mins by YFP-based fluorescence analysis

J Med Chem 58: 9697-711 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00771
BindingDB Entry DOI: 10.7270/Q2VD72FT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))		BDBM50290121
PNG
(CHEMBL3746321)
Show SMILES COc1ccc(CN2CCc3nc(nc(N4CCN(CC(N)=O)CC4)c3C2)-c2ccccn2)cc1
Show InChI InChI=1S/C26H31N7O2/c1-35-20-7-5-19(6-8-20)16-32-11-9-22-21(17-32)26(30-25(29-22)23-4-2-3-10-28-23)33-14-12-31(13-15-33)18-24(27)34/h2-8,10H,9,11-18H2,1H3,(H2,27,34)
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n/an/an/an/a 1.09E+4n/an/an/an/a



Siena Biotech S.p.A.

Curated by ChEMBL


Assay Description
Corrector activity at human CFTR F508 deletion mutant expressed in human A549 cells incubated for 25 mins by YFP-based fluorescence analysis

J Med Chem 58: 9697-711 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00771
BindingDB Entry DOI: 10.7270/Q2VD72FT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))		BDBM50290121
PNG
(CHEMBL3746321)
Show SMILES COc1ccc(CN2CCc3nc(nc(N4CCN(CC(N)=O)CC4)c3C2)-c2ccccn2)cc1
Show InChI InChI=1S/C26H31N7O2/c1-35-20-7-5-19(6-8-20)16-32-11-9-22-21(17-32)26(30-25(29-22)23-4-2-3-10-28-23)33-14-12-31(13-15-33)18-24(27)34/h2-8,10H,9,11-18H2,1H3,(H2,27,34)
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n/an/an/an/a 2.30E+3n/an/an/an/a



Siena Biotech S.p.A.

Curated by ChEMBL


Assay Description
Corrector activity at human CFTR F508 deletion mutant expressed in FRT cells incubated for 25 mins with forskolin by YFP-based fluorescence analysis ...

J Med Chem 58: 9697-711 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00771
BindingDB Entry DOI: 10.7270/Q2VD72FT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))		BDBM50290136
PNG
(CHEMBL3747046)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(nc2CCN(Cc3ccccc3)Cc12)-c1ccccn1
Show InChI InChI=1S/C27H35N7/c1-31(2)14-15-32-16-18-34(19-17-32)27-23-21-33(20-22-8-4-3-5-9-22)13-11-24(23)29-26(30-27)25-10-6-7-12-28-25/h3-10,12H,11,13-21H2,1-2H3
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n/an/an/an/a 1.50E+3n/an/an/an/a



Siena Biotech S.p.A.

Curated by ChEMBL


Assay Description
Corrector activity at human CFTR F508 deletion mutant expressed in FRT cells incubated for 25 mins with forskolin by YFP-based fluorescence analysis ...

J Med Chem 58: 9697-711 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00771
BindingDB Entry DOI: 10.7270/Q2VD72FT
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))		BDBM50290143
PNG
(CHEMBL3747604)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(nc2CCN(CC3CCCCC3)Cc12)-c1ccccn1
Show InChI InChI=1S/C27H41N7/c1-31(2)14-15-32-16-18-34(19-17-32)27-23-21-33(20-22-8-4-3-5-9-22)13-11-24(23)29-26(30-27)25-10-6-7-12-28-25/h6-7,10,12,22H,3-5,8-9,11,13-21H2,1-2H3
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n/an/an/an/a 900n/an/an/an/a



Siena Biotech S.p.A.

Curated by ChEMBL


Assay Description
Corrector activity at human CFTR F508 deletion mutant expressed in FRT cells incubated for 25 mins with forskolin by YFP-based fluorescence analysis ...

J Med Chem 58: 9697-711 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00771
BindingDB Entry DOI: 10.7270/Q2VD72FT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%