Found 11 hits of ec50 for monomerid = 50032693 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM50032693
(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)Show SMILES CC(C)(C)c1cc(c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)C(C)(C)C Show InChI InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29) | PDB
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| PDB
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| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Potentiation of human CFTR F508del mutant expressed in mouse NIH-3T3 cells after 30 mins by fluorescent voltage sensing optical assay |
J Med Chem 57: 9776-95 (2014)
Article DOI: 10.1021/jm5012808
BindingDB Entry DOI: 10.7270/Q2TH8P9K |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM50032693
(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)Show SMILES CC(C)(C)c1cc(c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)C(C)(C)C Show InChI InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29) | PDB
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| PDB
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| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
JL3Pharma LLC
Curated by ChEMBL
| Assay Description
Corrector activity at CFTR mutant (unknown origin) by phenotypic screening assay |
J Med Chem 57: 9774-5 (2014)
Article DOI: 10.1021/jm5016928
BindingDB Entry DOI: 10.7270/Q2J96808 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM50032693
(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)Show SMILES CC(C)(C)c1cc(c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)C(C)(C)C Show InChI InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29) | PDB
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| n/a | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Potentiator activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o cells assessed as increase in forskolin induced transepithelial sho... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112116
BindingDB Entry DOI: 10.7270/Q2514308 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM50032693
(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)Show SMILES CC(C)(C)c1cc(c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)C(C)(C)C Show InChI InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29) | PDB
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| n/a | n/a | n/a | n/a | 22 | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Potentiation of human CFTR F508del/G551D mutant in human bronchial epithelial cells by Ussing chambers recording technique |
J Med Chem 57: 9776-95 (2014)
Article DOI: 10.1021/jm5012808
BindingDB Entry DOI: 10.7270/Q2TH8P9K |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM50032693
(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)Show SMILES CC(C)(C)c1cc(c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)C(C)(C)C Show InChI InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29) | PDB
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| n/a | n/a | n/a | n/a | 34 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Potentiation of wild type CFTR (unknown origin) expressed in HBE cells assessed as change in short circuit current in presence of forskolin and amilo... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM50032693
(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)Show SMILES CC(C)(C)c1cc(c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)C(C)(C)C Show InChI InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29) | PDB
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PubMed
| n/a | n/a | n/a | n/a | 49 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Potentiation of CFTR F508del mutant (unknown origin) expressed in FRT cells assessed as chloride transport by measuring membrane potential in presenc... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM50032693
(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)Show SMILES CC(C)(C)c1cc(c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)C(C)(C)C Show InChI InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29) | PDB
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| n/a | n/a | n/a | n/a | 68 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Potentiation of CFTR F508 deletion mutant (unknown origin) expressed in HBE cells assessed as change in short circuit current in presence of forskoli... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM50032693
(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)Show SMILES CC(C)(C)c1cc(c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)C(C)(C)C Show InChI InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29) | PDB
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| n/a | n/a | n/a | n/a | 70 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Potentiation of wild-type CFTR (unknown origin) expressed in FRT cells assessed as chloride transport by measuring membrane potential in presence of ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM50032693
(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)Show SMILES CC(C)(C)c1cc(c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)C(C)(C)C Show InChI InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29) | PDB
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| n/a | n/a | n/a | n/a | 131 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Potentiation of CFTR G551D mutant (unknown origin) expressed in FRT cells assessed as chloride transport by measuring membrane potential in presence ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00343
BindingDB Entry DOI: 10.7270/Q2M0499G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM50032693
(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)Show SMILES CC(C)(C)c1cc(c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)C(C)(C)C Show InChI InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29) | PDB
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| n/a | n/a | n/a | n/a | 236 | n/a | n/a | n/a | n/a |
JL3Pharma LLC
Curated by ChEMBL
| Assay Description
Corrector activity at human bronchial epithelium CFTR F508del and G551D mutant assessed as increase in channel gating |
J Med Chem 57: 9774-5 (2014)
Article DOI: 10.1021/jm5016928
BindingDB Entry DOI: 10.7270/Q2J96808 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cystic fibrosis transmembrane conductance regulator
(Homo sapiens (Human)) | BDBM50032693
(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)Show SMILES CC(C)(C)c1cc(c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)C(C)(C)C Show InChI InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29) | PDB
UniProtKB/SwissProt
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Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Potentiation of human CFTR F508del mutant in human bronchial epithelial cells by Ussing chambers recording technique |
J Med Chem 57: 9776-95 (2014)
Article DOI: 10.1021/jm5012808
BindingDB Entry DOI: 10.7270/Q2TH8P9K |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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