BindingDB PrimarySearch

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

SMILES: CC(C)(C)c1cc(c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)C(C)(C)C

InChI Key: InChIKey=PURKAOJPTOLRMP-UHFFFAOYSA-N

Data: 8 IC50 5 EC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50032693
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50032693 (CHEBI:66901 \| IVACAFTOR \| Ivacaftor \| Kalydeco \| V...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	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
JL3Pharma LLC Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50032693 (CHEBI:66901 \| IVACAFTOR \| Ivacaftor \| Kalydeco \| V...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	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
JL3Pharma LLC Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50032693 (CHEBI:66901 \| IVACAFTOR \| Ivacaftor \| Kalydeco \| V...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	236	n/a	n/a	n/a	n/a
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
Vertex Pharmaceuticals Inc Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50032693 (CHEBI:66901 \| IVACAFTOR \| Ivacaftor \| Kalydeco \| V...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				J Med Chem 57: 9776-95 (2014) Article DOI: 10.1021/jm5012808 BindingDB Entry DOI: 10.7270/Q2TH8P9K
Vertex Pharmaceuticals Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50032693 (CHEBI:66901 \| IVACAFTOR \| Ivacaftor \| Kalydeco \| V...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 57: 9776-95 (2014) Article DOI: 10.1021/jm5012808 BindingDB Entry DOI: 10.7270/Q2TH8P9K
Vertex Pharmaceuticals Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50032693 (CHEBI:66901 \| IVACAFTOR \| Ivacaftor \| Kalydeco \| V...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				J Med Chem 57: 9776-95 (2014) Article DOI: 10.1021/jm5012808 BindingDB Entry DOI: 10.7270/Q2TH8P9K
Vertex Pharmaceuticals Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50032693 (CHEBI:66901 \| IVACAFTOR \| Ivacaftor \| Kalydeco \| V...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50032693 (CHEBI:66901 \| IVACAFTOR \| Ivacaftor \| Kalydeco \| V...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 57: 9776-95 (2014) Article DOI: 10.1021/jm5012808 BindingDB Entry DOI: 10.7270/Q2TH8P9K
Vertex Pharmaceuticals Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50032693 (CHEBI:66901 \| IVACAFTOR \| Ivacaftor \| Kalydeco \| V...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				J Med Chem 57: 9776-95 (2014) Article DOI: 10.1021/jm5012808 BindingDB Entry DOI: 10.7270/Q2TH8P9K
Vertex Pharmaceuticals Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50032693 (CHEBI:66901 \| IVACAFTOR \| Ivacaftor \| Kalydeco \| V...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of human ERG				J Med Chem 57: 9776-95 (2014) Article DOI: 10.1021/jm5012808 BindingDB Entry DOI: 10.7270/Q2TH8P9K
Vertex Pharmaceuticals Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50032693 (CHEBI:66901 \| IVACAFTOR \| Ivacaftor \| Kalydeco \| V...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	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
Vertex Pharmaceuticals Inc Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50032693 (CHEBI:66901 \| IVACAFTOR \| Ivacaftor \| Kalydeco \| V...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	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
Vertex Pharmaceuticals Inc Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Replicase polyprotein 1ab (2019-nCoV)	BDBM50032693 (CHEBI:66901 \| IVACAFTOR \| Ivacaftor \| Kalydeco \| V...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut Pasteur Korea					Assay 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� ...				Antimicrob Agents Chemother 64: (2020) Article DOI: 10.1128/AAC.00819-20 BindingDB Entry DOI: 10.7270/Q22N54QR
Institut Pasteur Korea					More data for this Ligand-Target Pair
Cytochrome P450 2E1 (Homo sapiens (Human))	BDBM50032693 (CHEBI:66901 \| IVACAFTOR \| Ivacaftor \| Kalydeco \| V...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of CYP2E1 (unknown origin)				J Med Chem 57: 9776-95 (2014) Article DOI: 10.1021/jm5012808 BindingDB Entry DOI: 10.7270/Q2TH8P9K
Vertex Pharmaceuticals Inc Curated by ChEMBL					More data for this Ligand-Target Pair