BDBM504826 5-({3- fluoro-4-[5- (trifluoro- methyl)- 1,2,4-oxa- diazol-3- yl]phenyl} methoxy) pyrimidine::US11066396, Example 236

SMILES Fc1cc(COc2cncnc2)ccc1-c1noc(n1)C(F)(F)F

InChI Key InChIKey=XCQXWTDPPMQBSK-UHFFFAOYSA-N

Data  4 IC50

  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 4 hits for monomerid = 504826   

TargetHistone deacetylase 6(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM504826(5-({3- fluoro-4-[5- (trifluoro- methyl)- 1,2,4-oxa...)
Affinity DataIC50: 26nMAssay Description:HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2021
Entry Details
US Patent

TargetHistone deacetylase 5(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM504826(5-({3- fluoro-4-[5- (trifluoro- methyl)- 1,2,4-oxa...)
Affinity DataIC50: 42nMAssay Description:HDAC5 reagents: N-terminal GST tagged HDAC5 was purchased from BPS Bioscience [catalog #50045]. Assays were performed with buffer containing 20 mM HE...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2021
Entry Details
US Patent

TargetHistone deacetylase 8(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM504826(5-({3- fluoro-4-[5- (trifluoro- methyl)- 1,2,4-oxa...)
Affinity DataIC50: 2.10E+3nMAssay Description:HDAC8 reagents: HDAC8 was purchased from Enzo Life Sciences [catalog #BML-SE145]. Assays were performed with buffer containing 20 mM HEPES, pH 8.0 [B...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2021
Entry Details
US Patent

TargetHistone deacetylase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM504826(5-({3- fluoro-4-[5- (trifluoro- methyl)- 1,2,4-oxa...)
Affinity DataIC50: 3.10E+3nMAssay Description:HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2021
Entry Details
US Patent