BDBM644627 Preparation of 21,21-dimethyl-4-(3-{2-[1-(trifluoromethyl)cyclopropyl]ethoxy}-1H-pyrazol-1-yl)-10λ6-thia-1,3,9,14,23-pentaazatetracyclo[17.2.1.111,14.02,7]tricosa-2,4,6,11(23),12-pentaene-8,10,10-trione ::US11866450, Compound 39

SMILES CC1(C)CC2CN1c1nc(ccc1C(=O)NS(=O)(=O)c1ccn(CCCC2)n1)-n1ccc(OCCC2(CC2)C(F)(F)F)n1

InChI Key InChIKey=OREJZOUOAATUOT-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 = 644627   

TargetCystic fibrosis transmembrane conductance regulator(Human)
Vertex Pharmaceuticals

US Patent
LigandPNGBDBM644627(US11866450, Compound 39 | Preparation of 21,21-dim...)
Affinity DataEC50:  2.00E+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
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