BDBM50032693 CHEBI:66901::Ivacaftor::Kalydeco::VX-770

SMILES CC(C)(C)c1cc(c(cc1NC(=O)C2=CNc3ccccc3C2=O)O)C(C)(C)C

InChI Key InChIKey=PURKAOJPTOLRMP-UHFFFAOYSA-N

Data  8 IC50  14 EC50

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50032693   

TargetCystic fibrosis transmembrane conductance regulator(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50032693(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)
Affinity DataEC50:  3nMAssay Description:Potentiation of human CFTR F508del mutant expressed in mouse NIH-3T3 cells after 30 mins by fluorescent voltage sensing optical assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/14/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCystic fibrosis transmembrane conductance regulator(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50032693(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)
Affinity DataEC50:  49nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details PDB3D3D Structure (crystal)
TargetCystic fibrosis transmembrane conductance regulator(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50032693(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)
Affinity DataEC50:  13nMAssay Description:Corrector activity at CFTR F508del mutant in forskolin-stimulated human bronchial epithelial cells derived from primary CF assessed as increase in me...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCystic fibrosis transmembrane conductance regulator(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50032693(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)
Affinity DataEC50:  100nMAssay Description:Inhibition of CFTR G551D mutant (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCystic fibrosis transmembrane conductance regulator(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50032693(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)
Affinity DataEC50:  25nMAssay Description:Inhibition of CFTR F508 deletion mutant (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCystic fibrosis transmembrane conductance regulator(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50032693(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)
Affinity DataEC50:  34nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCystic fibrosis transmembrane conductance regulator(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50032693(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)
Affinity DataEC50:  68nMAssay Description:Potentiation of CFTR F508 deletion mutant (unknown origin) expressed in HBE cells assessed as change in short circuit current in presence of forskoli...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCystic fibrosis transmembrane conductance regulator(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50032693(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)
Affinity DataEC50:  131nMAssay Description:Potentiation of CFTR G551D mutant (unknown origin) expressed in FRT cells assessed as chloride transport by measuring membrane potential in presence ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCystic fibrosis transmembrane conductance regulator(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50032693(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)
Affinity DataEC50:  70nMAssay Description:Potentiation of wild-type CFTR (unknown origin) expressed in FRT cells assessed as chloride transport by measuring membrane potential in presence of ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCystic fibrosis transmembrane conductance regulator(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50032693(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)
Affinity DataEC50:  49nMAssay Description:Potentiation of CFTR F508del mutant (unknown origin) expressed in FRT cells assessed as chloride transport by measuring membrane potential in presenc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCystic fibrosis transmembrane conductance regulator(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50032693(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)
Affinity DataEC50:  12nMAssay Description:Potentiator activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o cells assessed as increase in forskolin induced transepithelial sho...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetReplicase polyprotein 1ab(2019-nCoV)
Institut Pasteur Korea

LigandPNGBDBM50032693(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)
Affinity DataIC50: 6.57E+3nMAssay Description:Ten-point DRCs were generated for each drug. Vero cells were seeded at 1.2 × 104 cells per well in DMEM, supplemented with 2% FBS and 1× ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/13/2020
Entry Details Article
PubMed
TargetCystic fibrosis transmembrane conductance regulator(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50032693(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)
Affinity DataEC50:  236nMAssay Description:Corrector activity at human bronchial epithelium CFTR F508del and G551D mutant assessed as increase in channel gatingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/12/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCystic fibrosis transmembrane conductance regulator(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50032693(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)
Affinity DataEC50:  22nMAssay Description:Potentiation of human CFTR F508del/G551D mutant in human bronchial epithelial cells by Ussing chambers recording techniqueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/14/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50032693(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/14/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50032693(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/14/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50032693(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/14/2016
Entry Details Article
PubMed
TargetCytochrome P450 2E1(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50032693(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2E1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/14/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50032693(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/14/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50032693(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/14/2016
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50032693(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/14/2016
Entry Details Article
PubMed
TargetCystic fibrosis transmembrane conductance regulator(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50032693(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)
Affinity DataEC50:  236nMAssay Description:Potentiation of human CFTR F508del mutant in human bronchial epithelial cells by Ussing chambers recording techniqueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/14/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCystic fibrosis transmembrane conductance regulator(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50032693(CHEBI:66901 | Ivacaftor | Kalydeco | VX-770)
Affinity DataEC50:  3nMAssay Description:Corrector activity at CFTR mutant (unknown origin) by phenotypic screening assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/12/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)