BDBM50561978 CHEMBL4765131

SMILES COc1ccc(C(=O)NCCCC[C@H](NC(=O)c2cncs2)c2ncc([nH]2)-c2ccc3ccccc3c2)c(O)c1

InChI Key InChIKey=FRJCSKILKMMUHL-UHFFFAOYSA-N

Data  3 IC50  1 EC50

  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 4 hits for monomerid = 50561978   

TargetHistone deacetylase 1(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50561978(CHEMBL4765131)
Affinity DataIC50: 800nMAssay Description:Inhibition of human recombinant full length FLAG-tagged HDAC1 expressed in HEK293F cells using BML-KI104 as substrate in presence of SAHA as inhibito...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetHistone deacetylase 2(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50561978(CHEMBL4765131)
Affinity DataIC50: 1.90E+3nMAssay Description:Inhibition of human recombinant full length FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 cells using BML-KI104 as substrate in presence of...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetHistone deacetylase 3(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50561978(CHEMBL4765131)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of human recombinant full length FLAG-tagged HDAC3 expressed in HEK293F cells in using BML-KI104 as substrate in presence of SAHA as inhib...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetHistone deacetylase 1/2/3/8(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50561978(CHEMBL4765131)
Affinity DataEC50: >4.00E+4nMAssay Description:Inhibition of class 1 HDAC in human Jurkat model of HIV latency assessed as reactivation of HIV latency incubated for 20 hrs in presence of SAHA and ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed