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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1/2/3/8' and Ligand = 'BDBM25150'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 1/2/3/8


(Homo sapiens (Human))
BDBM25150
PNG
((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...)
Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+
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Article
PubMed
n/an/a 189n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition Class 1 histone deacetylase in human HeLa nuclear extracts using Fluor-de- Lys-green substrate by fluorescence assay


Bioorg Med Chem Lett 29: 2581-2586 (2019)


Article DOI: 10.1016/j.bmcl.2019.08.002
BindingDB Entry DOI: 10.7270/Q2T43XG1
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/8


(Homo sapiens (Human))
BDBM25150
PNG
((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...)
Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+
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MCE
PC cid
PC sid
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Article
PubMed
n/an/a 470n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of class 1 HDAC in human Jurkat 2C4 model of HIV latency assessed as reactivation of HIV latency incubated for 18 to 24 hrs in presence of...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00074
BindingDB Entry DOI: 10.7270/Q2V41004
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/8


(Homo sapiens (Human))
BDBM25150
PNG
((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...)
Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+
PDB

UniProtKB/SwissProt

antibodypedia
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antibodypedia
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MCE
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a 620n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of class 1 HDAC in human Jurkat 2C4 model of HIV latency assessed as reactivation of HIV latency incubated for 18 to 24 hrs in presence of...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00074
BindingDB Entry DOI: 10.7270/Q2V41004
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/8


(Homo sapiens (Human))
BDBM25150
PNG
((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...)
Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of class 1 HDAC in quiescent human primary T-cell model of VSV-G pseudotyped HIV-1 latency assessed as reactivation of HIV latency incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00074
BindingDB Entry DOI: 10.7270/Q2V41004
More data for this
Ligand-Target Pair