BDBM552952 N-[2-[(3S)-3,4- dimethylpiperazin-1-yl]- 4-fluoro-5-(2-morpholin- 4-ylpyrimidin-5- yl)phenyl]-6-oxo-4- (trifluoromethyl)-1H- pyridine-3-carboxamide::US11319299, Example 7

SMILES C[C@H]1CN(c2cc(F)c(-c3cnc(N4CCOCC4)nc3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CCN1C

InChI Key InChIKey=RWMJXLQEZZOCBN-UHFFFAOYSA-N

Data  1 IC50  2 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 3 hits for monomerid = 552952   

TargetWD repeat-containing protein 5(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 552952BDBM552952(N-[2-[(3S)-3,4- dimethylpiperazin-1-yl]- 4-fluoro-...)
Affinity DataKd:  0.0600nMAssay Description:Binding affinity to N-terminal His-tagged and C-terminal Avi-tagged full length human WDR5 WIN site expressed in Escherichia coli measured upto 600 s...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetWD repeat-containing protein 5(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 552952BDBM552952(N-[2-[(3S)-3,4- dimethylpiperazin-1-yl]- 4-fluoro-...)
Affinity DataKd:  0.0600nMAssay 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
US Patent

TargetMLL1-WRAD2 complex(Human)
Propellon Therapeutics

US Patent
LigandChemical structure of BindingDB Monomer ID 552952BDBM552952(N-[2-[(3S)-3,4- dimethylpiperazin-1-yl]- 4-fluoro-...)
Affinity DataIC50: 54nMAssay 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
US Patent