BDBM50561981 CHEMBL4782216

SMILES Oc1cccnc1C(=O)NCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc2ccccc2c1

InChI Key InChIKey=RHDGWSUWHOVZFS-UHFFFAOYSA-N

Data  5 IC50  1 EC50

  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 6 hits for monomerid = 50561981   

TargetHistone deacetylase 1(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50561981(CHEMBL4782216)
Affinity DataIC50: 52nMAssay 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 DepthDetails Article
PubMed
TargetHistone deacetylase 2(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50561981(CHEMBL4782216)
Affinity DataIC50: 70nMAssay 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 DepthDetails Article
PubMed
TargetHistone deacetylase 3(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50561981(CHEMBL4782216)
Affinity DataIC50: 31nMAssay 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 DepthDetails Article
PubMed
TargetHistone deacetylase 8(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50561981(CHEMBL4782216)
Affinity DataIC50: 3.40E+3nMAssay Description:Inhibition of human recombinant HDAC8 expressed in Escherichia coli using BML-KI178 as substrate and SAHA as inhibitor preincubated for 3 hrs followe...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistone deacetylase 6(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50561981(CHEMBL4782216)
Affinity DataIC50: 4.50E+4nMAssay Description:Inhibition of HDAC6 (unknown origin) using BML-KI104 as substrate in presence of SAHA as inhibitor preincubated for 3 hrs followed by addition of sub...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistone deacetylase 1/2/3/8(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50561981(CHEMBL4782216)
Affinity DataEC50:  2.20E+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 DepthDetails Article
PubMed