BDBM644782 Preparation of (14S)-8-[3-(2-{dispiro[2.0.2.1]heptan-7-yl}ethoxy)-1H-pyrazol-1-yl]-12,12-dimethyl-2λ6-thia-3,9,11,18,23-pentaazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5,7,9,19(23),20-hexaene-2,2,4-trione ::US11866450, Compound 195::US11866450, Compound 252::US11866450, Compound 253::US11866450, Compound 274::US11866450, Compound 298::US11866450, Compound 300::US11866450, Compound 301

SMILES CC1(C)C[C@H]2CN1c1nc(ccc1C(=O)NS(=O)(=O)c1cccc(NCCC2)n1)-n1ccc(OCCC2C3(CC3)C22CC2)n1

InChI Key InChIKey=VCSUIBJKYCVWNF-UHFFFAOYSA-N

Data  7 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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 7 hits for monomerid = 644782   

TargetCystic fibrosis transmembrane conductance regulator(Human)
Vertex Pharmaceuticals

US Patent
LigandPNGBDBM644782(US11866450, Compound 301 | US11866450, Compound 25...)
Affinity DataEC50: <1.00E+3nMAssay Description:Bath 1 Buffer consisted of 1 mM MgCl2, 160 mM NaCl, 4.5 mM KCl, 10 mM HEPES, 10 mM Glucose, 2 mM CaCl2).Chloride Free Buffer consisted of 1 mM Magnes...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2024
Entry Details
US Patent

TargetCystic fibrosis transmembrane conductance regulator(Human)
Vertex Pharmaceuticals

US Patent
LigandPNGBDBM644782(US11866450, Compound 301 | US11866450, Compound 25...)
Affinity DataEC50: <1.00E+3nMAssay Description:Bath 1 Buffer consisted of 1 mM MgCl2, 160 mM NaCl, 4.5 mM KCl, 10 mM HEPES, 10 mM Glucose, 2 mM CaCl2).Chloride Free Buffer consisted of 1 mM Magnes...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2024
Entry Details
US Patent

TargetCystic fibrosis transmembrane conductance regulator(Human)
Vertex Pharmaceuticals

US Patent
LigandPNGBDBM644782(US11866450, Compound 301 | US11866450, Compound 25...)
Affinity DataEC50: <1.00E+3nMAssay Description:Bath 1 Buffer consisted of 1 mM MgCl2, 160 mM NaCl, 4.5 mM KCl, 10 mM HEPES, 10 mM Glucose, 2 mM CaCl2).Chloride Free Buffer consisted of 1 mM Magnes...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2024
Entry Details
US Patent

TargetCystic fibrosis transmembrane conductance regulator(Human)
Vertex Pharmaceuticals

US Patent
LigandPNGBDBM644782(US11866450, Compound 301 | US11866450, Compound 25...)
Affinity DataEC50: <1.00E+3nMAssay Description:Bath 1 Buffer consisted of 1 mM MgCl2, 160 mM NaCl, 4.5 mM KCl, 10 mM HEPES, 10 mM Glucose, 2 mM CaCl2).Chloride Free Buffer consisted of 1 mM Magnes...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2024
Entry Details
US Patent

TargetCystic fibrosis transmembrane conductance regulator(Human)
Vertex Pharmaceuticals

US Patent
LigandPNGBDBM644782(US11866450, Compound 301 | US11866450, Compound 25...)
Affinity DataEC50: <1.00E+3nMAssay Description:Bath 1 Buffer consisted of 1 mM MgCl2, 160 mM NaCl, 4.5 mM KCl, 10 mM HEPES, 10 mM Glucose, 2 mM CaCl2).Chloride Free Buffer consisted of 1 mM Magnes...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2024
Entry Details
US Patent

TargetCystic fibrosis transmembrane conductance regulator(Human)
Vertex Pharmaceuticals

US Patent
LigandPNGBDBM644782(US11866450, Compound 301 | US11866450, Compound 25...)
Affinity DataEC50: <1.00E+3nMAssay Description:Bath 1 Buffer consisted of 1 mM MgCl2, 160 mM NaCl, 4.5 mM KCl, 10 mM HEPES, 10 mM Glucose, 2 mM CaCl2).Chloride Free Buffer consisted of 1 mM Magnes...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2024
Entry Details
US Patent

TargetCystic fibrosis transmembrane conductance regulator(Human)
Vertex Pharmaceuticals

US Patent
LigandPNGBDBM644782(US11866450, Compound 301 | US11866450, Compound 25...)
Affinity DataEC50: <1.00E+3nMAssay Description:Bath 1 Buffer consisted of 1 mM MgCl2, 160 mM NaCl, 4.5 mM KCl, 10 mM HEPES, 10 mM Glucose, 2 mM CaCl2).Chloride Free Buffer consisted of 1 mM Magnes...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2024
Entry Details
US Patent