BDBM644622 Preparation of (15S)-12,12-dimethyl-8-(3-{2-[1-(trifluoromethyl) cyclopropyl]ethoxy}-1H-pyrazol-1-yl)-2λ6-thia-3,9,11,19,24-pentaaza tetracyclo[18.3.1.05,10.011,15]tetracosa-1(23),5,7,9,20(24),21-hexaene-2,2,4-trione (Compound 33) and (15R)-12,12-dimethyl-8-(3-{2-[1-(trifluoromethyl)cyclopropyl]ethoxy}-1H-pyrazol-1-yl)-2λ6-thia-3,9,11,19,24-pentaazatetracyclo[18.3.1.05,10.011,15]tetracosa-1(23),5,7,9,20(24),21-hexaene-2,2,4-trione ::US11866450, Compound 34

SMILES CC1(C)CC[C@H]2CCCNc3cccc(n3)S(=O)(=O)NC(=O)c3ccc(nc3N12)-n1ccc(OCCC2(CC2)C(F)(F)F)n1

InChI Key InChIKey=MGFSKIVOBYFKPF-UHFFFAOYSA-N

Data  1 EC50

  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 1 hit for monomerid = 644622   

TargetCystic fibrosis transmembrane conductance regulator(Human)
Vertex Pharmaceuticals

US Patent
LigandPNGBDBM644622(US11866450, Compound 34 | Preparation of (15S)-12,...)
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
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Date in BDB:
3/2/2024
Entry Details
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