BDBM50289703 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  2 Kd  4 EC50

PDB links: 3 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50289703   

TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50289703(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)
Affinity DataEC50:  2.60E+3nMAssay Description:Corrector activity at CFTR F508-del mutant (unknown origin)More data for this Ligand-Target Pair
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50289703(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)
Affinity DataEC50:  2.57E+3nMAssay 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...More data for this Ligand-Target Pair
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50289703(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)
Affinity DataEC50:  2.60E+3nMAssay Description:Corrector activity at human CFTR F508 deletion mutant expressed in FRT cells incubated for 25 mins with forskolin by YFP-based fluorescence analysis ...More data for this Ligand-Target Pair
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50289703(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)
Affinity DataKd:  4.78E+4nMAssay Description:Binding affinity to sensorchip-immobilized human His-tagged CFTR F508 deletion mutant by surface plasmon resonance analysisMore data for this Ligand-Target Pair
TargetCytochrome P450 2C8(Homo sapiens (Human))
Bristol Myers Squibb Company

Curated by ChEMBL
LigandPNGBDBM50289703(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)
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of CYP2C8 (unknown origin) assessed as reduction in amodiaquine N-deethylationMore data for this Ligand-Target Pair
TargetCytochrome P450 2C9(Homo sapiens (Human))
Bristol Myers Squibb Company

Curated by ChEMBL
LigandPNGBDBM50289703(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)
Affinity DataIC50: 3.20E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin) assessed as reduction in diclofenac 4-hydroxylationMore data for this Ligand-Target Pair
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50289703(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)
Affinity DataKd:  7.28E+4nMAssay Description:Binding affinity to His-tagged human CFTR-F508del mutant by surface plasmon resonance assayMore data for this Ligand-Target Pair
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
University of Genoa

Curated by ChEMBL
LigandPNGBDBM50289703(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)
Affinity DataEC50:  2.60E+3nMAssay Description:Corrector activity at CFTR F508del mutant (unknown origin)More data for this Ligand-Target Pair