BindingDB PrimarySearch

BDBM50289703 LUMACAFTOR::Lumacaftor::VRT 826809::VRT-826809::VX 809::VX-809

SMILES: Cc1ccc(NC(=O)C2(CC2)c2ccc3OC(F)(F)Oc3c2)nc1-c1cccc(c1)C(O)=O

InChI Key: InChIKey=UFSKUSARDNFIRC-UHFFFAOYSA-N

Data: 2 IC50 4 EC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50289703
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))	BDBM50289703 (LUMACAFTOR \| Lumacaftor \| VRT 826809 \| VRT-826809 ...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a
University of Genoa Curated by ChEMBL					Assay Description Corrector activity at CFTR F508-del mutant (unknown origin)				Eur J Med Chem 144: 179-200 (2018) Article DOI: 10.1016/j.ejmech.2017.12.030 BindingDB Entry DOI: 10.7270/Q20K2C4K
University of Genoa Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50289703 (LUMACAFTOR \| Lumacaftor \| VRT 826809 \| VRT-826809 ...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2.57E+3	n/a	n/a	n/a	n/a
University of Genoa Curated by ChEMBL					Assay Description Corrector activity at CFTR F508-del mutant (unknown origin) expressed in human CFBE41o cells harboring HS-YFP preincubated for 24 hrs followed by for...				Eur J Med Chem 144: 179-200 (2018) Article DOI: 10.1016/j.ejmech.2017.12.030 BindingDB Entry DOI: 10.7270/Q20K2C4K
University of Genoa Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50289703 (LUMACAFTOR \| Lumacaftor \| VRT 826809 \| VRT-826809 ...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/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
Siena Biotech S.p.A. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50289703 (LUMACAFTOR \| Lumacaftor \| VRT 826809 \| VRT-826809 ...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB	n/a	n/a	n/a	4.78E+4	n/a	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 2C8 (Homo sapiens (Human))	BDBM50289703 (LUMACAFTOR \| Lumacaftor \| VRT 826809 \| VRT-826809 ...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin) assessed as reduction in amodiaquine N-deethylation				J Med Chem 63: 6315-6386 (2020)
Bristol Myers Squibb Company Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50289703 (LUMACAFTOR \| Lumacaftor \| VRT 826809 \| VRT-826809 ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin) assessed as reduction in diclofenac 4-hydroxylation				J Med Chem 63: 6315-6386 (2020)
Bristol Myers Squibb Company Curated by ChEMBL					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50289703 (LUMACAFTOR \| Lumacaftor \| VRT 826809 \| VRT-826809 ...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB	n/a	n/a	n/a	7.28E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50289703 (LUMACAFTOR \| Lumacaftor \| VRT 826809 \| VRT-826809 ...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a
University of Palermo Curated by ChEMBL					Assay Description Corrector activity at CFTR F508del mutant (unknown origin)				Eur J Med Chem 180: 430-448 (2019) Article DOI: 10.1016/j.ejmech.2019.07.037
University of Palermo Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)