BDBM50460799 CHEMBL4225827

SMILES CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCCCCCCn2cc(cn2)-c2nc(Nc3ccc(NC(=O)CCCCCCC(O)=O)cc3)nc3[nH]ccc23)c(Cl)cc1Cl

InChI Key InChIKey=QHPTTYRSZDXUAD-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 = 50460799   

TargetTyrosine-protein kinase JAK2(Human)
National University of Singapore

Curated by ChEMBL
LigandPNGBDBM50460799(CHEMBL4225827)
Affinity DataIC50: 3.76E+3nMAssay Description:Inhibition of human JAK2 using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma33P]-ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetHistone deacetylase 6(Human)
National University of Singapore

Curated by ChEMBL
LigandPNGBDBM50460799(CHEMBL4225827)
Affinity DataIC50: 6.30E+3nMAssay Description:Inhibition of HDAC6 (unknown origin) using Arg-His-Lys-Lys(Ac) as substrate after 2 hrs by fluorescence analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
National University of Singapore

Curated by ChEMBL
LigandPNGBDBM50460799(CHEMBL4225827)
Affinity DataIC50: 2.02E+4nMAssay Description:Inhibition of HSP90alpha (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetHistone deacetylase 1(Human)
National University of Singapore

Curated by ChEMBL
LigandPNGBDBM50460799(CHEMBL4225827)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of HDAC1 (unknown origin) using Arg-His-Lys-Lys(Ac) as substrate after 2 hrs by fluorescence analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed