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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 2' and Ligand = 'BDBM50242817'   
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 2


(Homo sapiens (Human))
BDBM50242817
PNG
(CHEMBL4087968)
Show SMILES Nc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)\C=C\c2cccnc2)cc1
Show InChI InChI=1S/C22H19FN4O2/c23-18-8-9-19(24)20(12-18)27-22(29)17-6-3-16(4-7-17)14-26-21(28)10-5-15-2-1-11-25-13-15/h1-13H,14,24H2,(H,26,28)(H,27,29)/b10-5+
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MCE
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Article
PubMed
n/an/a 67n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human HDAC2 using FLUOR-DE-LYS-Green as substrate incubated for 10 mins followed by substrate addition and measured after 3...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112322
BindingDB Entry DOI: 10.7270/Q2TM7FVH
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50242817
PNG
(CHEMBL4087968)
Show SMILES Nc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)\C=C\c2cccnc2)cc1
Show InChI InChI=1S/C22H19FN4O2/c23-18-8-9-19(24)20(12-18)27-22(29)17-6-3-16(4-7-17)14-26-21(28)10-5-15-2-1-11-25-13-15/h1-13H,14,24H2,(H,26,28)(H,27,29)/b10-5+
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n/an/a 160n/an/an/an/an/an/a


TBA

Assay Description
PGE-2 (EP1 subtype) antagonistic activity as PGE2-stimulated guinea pig ileum muscle strip assay


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50242817
PNG
(CHEMBL4087968)
Show SMILES Nc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)\C=C\c2cccnc2)cc1
Show InChI InChI=1S/C22H19FN4O2/c23-18-8-9-19(24)20(12-18)27-22(29)17-6-3-16(4-7-17)14-26-21(28)10-5-15-2-1-11-25-13-15/h1-13H,14,24H2,(H,26,28)(H,27,29)/b10-5+
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Article
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n/an/a 160n/an/an/an/an/an/a



Hunan University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111691
BindingDB Entry DOI: 10.7270/Q2BR8WGC
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50242817
PNG
(CHEMBL4087968)
Show SMILES Nc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)\C=C\c2cccnc2)cc1
Show InChI InChI=1S/C22H19FN4O2/c23-18-8-9-19(24)20(12-18)27-22(29)17-6-3-16(4-7-17)14-26-21(28)10-5-15-2-1-11-25-13-15/h1-13H,14,24H2,(H,26,28)(H,27,29)/b10-5+
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n/an/a 310n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged HDAC2 (1 to 582 residues) expressed in baculovirus infected insect cells using FLUOR DE LYS Green as subst...


Eur J Med Chem 173: 185-202 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.017
BindingDB Entry DOI: 10.7270/Q2V98CGB
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50242817
PNG
(CHEMBL4087968)
Show SMILES Nc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)\C=C\c2cccnc2)cc1
Show InChI InChI=1S/C22H19FN4O2/c23-18-8-9-19(24)20(12-18)27-22(29)17-6-3-16(4-7-17)14-26-21(28)10-5-15-2-1-11-25-13-15/h1-13H,14,24H2,(H,26,28)(H,27,29)/b10-5+
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Article
PubMed
n/an/a 310n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 assessed as decrease in deacetylation of FLUOR DE LYS Green substrate preincubated for 10 mins followed by subs...


Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50242817
PNG
(CHEMBL4087968)
Show SMILES Nc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)\C=C\c2cccnc2)cc1
Show InChI InChI=1S/C22H19FN4O2/c23-18-8-9-19(24)20(12-18)27-22(29)17-6-3-16(4-7-17)14-26-21(28)10-5-15-2-1-11-25-13-15/h1-13H,14,24H2,(H,26,28)(H,27,29)/b10-5+
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CHEMBL
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Article
PubMed
n/an/a 370n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using Fluor de Lys-Green as substrate preincubated for 5 mins followed by substrate addition and measured after...


Eur J Med Chem 143: 320-333 (2018)


Article DOI: 10.1016/j.ejmech.2017.08.041
BindingDB Entry DOI: 10.7270/Q2F47RTJ
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50242817
PNG
(CHEMBL4087968)
Show SMILES Nc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)\C=C\c2cccnc2)cc1
Show InChI InChI=1S/C22H19FN4O2/c23-18-8-9-19(24)20(12-18)27-22(29)17-6-3-16(4-7-17)14-26-21(28)10-5-15-2-1-11-25-13-15/h1-13H,14,24H2,(H,26,28)(H,27,29)/b10-5+
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CHEMBL
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Article
PubMed
n/an/a 2.30E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant HDAC2 preincubated for 10 mins followed by addition of substrate fluor De Lys green measured after 30 mins by fluores...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112073
BindingDB Entry DOI: 10.7270/Q21V5JKP
More data for this
Ligand-Target Pair