BDBM50250142 CHEMBL4091233

SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(CCCn2cc(cn2)-c2ncnc3[nH]ccc23)cc1

InChI Key InChIKey=XUDWZNDDTLRWKX-UHFFFAOYSA-N

Data  3 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50250142   

TargetHistone deacetylase 1(Human)
National University of Singapore

Curated by ChEMBL
LigandPNGBDBM50250142(CHEMBL4091233)
Affinity DataIC50: 265nMAssay Description:Inhibition of C-terminal FLAG His tagged full length human recombinant HDAC1 (1 to 482 residues) expressed in baculovirus infected sf21 cells using R...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/20/2019
Entry Details Article
PubMed
TargetTyrosine-protein kinase JAK2(Human)
National University of Singapore

Curated by ChEMBL
LigandPNGBDBM50250142(CHEMBL4091233)
Affinity DataKd:  2.00E+3nMAssay Description:Binding affinity to N-terminal His tagged human recombinant JAK2 (1014 to 1132 residues) expressed in Escherichia coli after 60 to 90 mins by LC/MS a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/20/2019
Entry Details Article
PubMed
TargetHistone deacetylase 6(Human)
National University of Singapore

Curated by ChEMBL
LigandPNGBDBM50250142(CHEMBL4091233)
Affinity DataIC50: 0.900nMAssay Description:Inhibition of N-terminal GST tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected insect cells using RHKKAc as substrate in pres...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/20/2019
Entry Details Article
PubMed
TargetTyrosine-protein kinase JAK2(Human)
National University of Singapore

Curated by ChEMBL
LigandPNGBDBM50250142(CHEMBL4091233)
Affinity DataIC50: 865nMAssay Description:Inhibition of human JAK2 using poly[Glu:Tyr] as substrate in presence of [gamma-33P]-ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/20/2019
Entry Details Article
PubMed