BDBM504545 (S)-N-(tert-Butyl)-1-(2,5-difluoro-4-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)phenyl)-N-methyl-5-oxopyrrolidine-2-carboxamide::US11066396, Example 19::US11066396, Example 337

SMILES CN(C(=O)[C@@H]1CCC(=O)N1c1cc(F)c(cc1F)-c1noc(n1)C(F)(F)F)C(C)(C)C

InChI Key InChIKey=IKKWVEXHLXABCU-UHFFFAOYSA-N

Data  7 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 504545   

TargetHistone deacetylase 6(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM504545((S)-N-(tert-Butyl)-1-(2,5-difluoro-4-(5-(trifluoro...)
Affinity DataIC50: 7.5nMAssay 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
Go to US Patent

TargetHistone deacetylase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM504545((S)-N-(tert-Butyl)-1-(2,5-difluoro-4-(5-(trifluoro...)
Affinity DataIC50: 7.50E+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
Go to US Patent

TargetHistone deacetylase 8(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM504545((S)-N-(tert-Butyl)-1-(2,5-difluoro-4-(5-(trifluoro...)
Affinity DataIC50: 2.10E+4nMAssay 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
Go to US Patent

TargetHistone deacetylase 6(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM504545((S)-N-(tert-Butyl)-1-(2,5-difluoro-4-(5-(trifluoro...)
Affinity DataIC50: 7.5nMAssay 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
Go to US Patent

TargetHistone deacetylase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM504545((S)-N-(tert-Butyl)-1-(2,5-difluoro-4-(5-(trifluoro...)
Affinity DataIC50: 7.50E+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
Go to US Patent

TargetHistone deacetylase 5(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM504545((S)-N-(tert-Butyl)-1-(2,5-difluoro-4-(5-(trifluoro...)
Affinity DataIC50: 190nMAssay 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
Go to US Patent

TargetHistone deacetylase 8(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM504545((S)-N-(tert-Butyl)-1-(2,5-difluoro-4-(5-(trifluoro...)
Affinity DataIC50: 2.10E+4nMAssay 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
Go to US Patent