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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50013643   
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 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged human recombinant full length HDAC3 (1 to 428 residues)/N-terminal GST-tagged human recombinant NCOR2 (395 to 489...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))
BDBM50568248
PNG
(CHEMBL4879105)
Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)C1
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n/an/a 1.09E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged human recombinant full length HDAC3 (1 to 428 residues)/N-terminal GST-tagged human recombinant NCOR2 (395 to 489...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))
BDBM50568247
PNG
(CHEMBL4854201)
Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1ccc(F)cc1N
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n/an/a 2.12E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged human recombinant full length HDAC3 (1 to 428 residues)/N-terminal GST-tagged human recombinant NCOR2 (395 to 489...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))
BDBM50568245
PNG
(CHEMBL4861149)
Show SMILES CC(C)(C)Nc1c(nc2cnccn12)-c1cccc(c1)-c1nc2cc(ccc2[nH]1)-c1noc(n1)C(F)(F)F
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged human recombinant full length HDAC3 (1 to 428 residues)/N-terminal GST-tagged human recombinant NCOR2 (395 to 489...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))
BDBM50568244
PNG
(CHEMBL4862147)
Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1cccc(c1)-c1nc2cc(ccc2[nH]1)-c1noc(n1)C(F)(F)F
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged human recombinant full length HDAC3 (1 to 428 residues)/N-terminal GST-tagged human recombinant NCOR2 (395 to 489...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))
BDBM50568243
PNG
(CHEMBL4846752)
Show SMILES ONC(=N)c1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccccc2n1
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PC cid
PC sid
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged human recombinant full length HDAC3 (1 to 428 residues)/N-terminal GST-tagged human recombinant NCOR2 (395 to 489...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))
BDBM50568246
PNG
(CHEMBL4854692)
Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1ccc(cc1)-c1noc(n1)C(F)(F)F
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of C-terminal His-tagged human recombinant full length HDAC3 (1 to 428 residues)/N-terminal GST-tagged human recombinant NCOR2 (395 to 489...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116251
BindingDB Entry DOI: 10.7270/Q2BK1H5D
More data for this
Ligand-Target Pair