BDBM50580057 CHEMBL5076242

SMILES C/C=C1\NC(=O)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCSSCCCCCCC)OC(=O)[C@H](CCCCNC(=O)CCCCC[N+]2=C(/C=C/C=C/C=C3/N(CC)c4ccc5c(S(=O)(=O)O)cc(S(=O)(=O)O)cc5c4C3(C)C)C(C)(C)c3c2ccc2c(S(=O)(=O)[O-])cc(S(=O)(=O)O)cc32)NC1=O

InChI Key InChIKey=FICXIENSVIWZLA-UHFFFAOYSA-N

Data  3 IC50

  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 = 50580057   

TargetHistone deacetylase 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50580057BDBM50580057(CHEMBL5076242)
Affinity DataIC50: 8nMAssay Description:Inhibition of recombinant human C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in Sf9 insect cells using fluorometric substrate measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMed
TargetHistone deacetylase 6(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50580057BDBM50580057(CHEMBL5076242)
Affinity DataIC50: 70nMAssay Description:Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in Sf9 cells using fluorogenic substrate measured after 60 mins by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMed
TargetHistone deacetylase(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50580057BDBM50580057(CHEMBL5076242)
Affinity DataIC50: 824nMAssay Description:Inhibition of recombinant HDAC in human HeLa nuclear extracts using fluorogenic substrate measured after 60 mins by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMed