BDBM552981 N-[5-(2-cyanopyrimidin- 5-yl)-4-fluoro-2-[(3S,5R)- 3,4,5-trimethylpiperazin- 1-yl]phenyl]-6-oxo-4- (trifluoromethyl)-1H- pyridine-3-carboxamide::US11319299, Example 31

SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)C#N

InChI Key InChIKey=QCTQIUVBBPESJQ-UHFFFAOYSA-N

Data  1 IC50  1 Kd

  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 2 hits for monomerid = 552981   

TargetMLL1-WRAD2 complex(Human)
Propellon Therapeutics

US Patent
LigandPNGBDBM552981(N-[5-(2-cyanopyrimidin- 5-yl)-4-fluoro-2-[(3S,5R)-...)
Affinity DataIC50: 75nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/7/2022
Entry Details
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TargetWD repeat-containing protein 5(Human)
Propellon Therapeutics

US Patent
LigandPNGBDBM552981(N-[5-(2-cyanopyrimidin- 5-yl)-4-fluoro-2-[(3S,5R)-...)
Affinity DataKd:  1.40nMAssay Description:Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at −20° C. for repeat studies and o...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/7/2022
Entry Details
Go to US Patent