BDBM505022 N-{4-[5- (trifluoro- methyl)- 1,2,4-oxa- diazol-3- yl]benzyl} pyrimidin- 5-amine::US11066396, Example 419

SMILES FC(F)(F)c1nc(no1)-c1ccc(CNc2cncnc2)cc1

InChI Key InChIKey=CORUEZYSWZEUFF-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 505022   

TargetHistone deacetylase 6(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM505022(N-{4-[5- (trifluoro- methyl)- 1,2,4-oxa- diazol-3-...)
Affinity DataIC50: 47nMAssay 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 8(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM505022(N-{4-[5- (trifluoro- methyl)- 1,2,4-oxa- diazol-3-...)
Affinity DataIC50: 1.90E+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
LigandPNGBDBM505022(N-{4-[5- (trifluoro- methyl)- 1,2,4-oxa- diazol-3-...)
Affinity DataIC50: 2.60E+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