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Compile Data Set for Download or QSAR

Found 22 hits with Last Name = 'ulicki' and Initial = 'js'   
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


(Homo sapiens (Human))
BDBM50048864
PNG
(CHEMBL3310505)
Show SMILES [H][C@@]12CC(=O)N[C@H](C(C)C)C(=O)N[C@]([H])(CSSCC\C=C\1)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O2 |r,t:20|
Show InChI InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19+,20-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC3 in human DU-145 cells assessed as increase in histone H3 acetylation after 24 hrs by immunofluorescence microscopy


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01928
BindingDB Entry DOI: 10.7270/Q2H41WB8
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50048864
PNG
(CHEMBL3310505)
Show SMILES [H][C@@]12CC(=O)N[C@H](C(C)C)C(=O)N[C@]([H])(CSSCC\C=C\1)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O2 |r,t:20|
Show InChI InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19+,20-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC1 in human DU-145 cells assessed as increase in histone H3 acetylation after 24 hrs by immunofluorescence microscopy


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01928
BindingDB Entry DOI: 10.7270/Q2H41WB8
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50048864
PNG
(CHEMBL3310505)
Show SMILES [H][C@@]12CC(=O)N[C@H](C(C)C)C(=O)N[C@]([H])(CSSCC\C=C\1)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O2 |r,t:20|
Show InChI InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19+,20-/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC2 in human DU-145 cells assessed as increase in histone H3 acetylation after 24 hrs by immunofluorescence microscopy


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01928
BindingDB Entry DOI: 10.7270/Q2H41WB8
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50048864
PNG
(CHEMBL3310505)
Show SMILES [H][C@@]12CC(=O)N[C@H](C(C)C)C(=O)N[C@]([H])(CSSCC\C=C\1)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O2 |r,t:20|
Show InChI InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19+,20-/m0/s1
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC8 in human DU-145 cells assessed as increase in histone H3 acetylation after 24 hrs by immunofluorescence microscopy


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01928
BindingDB Entry DOI: 10.7270/Q2H41WB8
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50048864
PNG
(CHEMBL3310505)
Show SMILES [H][C@@]12CC(=O)N[C@H](C(C)C)C(=O)N[C@]([H])(CSSCC\C=C\1)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O2 |r,t:20|
Show InChI InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19+,20-/m0/s1
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n/an/a 180n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 in human DU-145 cells assessed as increase in histone H3 acetylation after 24 hrs by immunofluorescence microscopy


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01928
BindingDB Entry DOI: 10.7270/Q2H41WB8
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50585748
PNG
(CHEMBL5086240)
Show SMILES CC(C)(C)OC(=O)CC(O)\C=C\CCSSCC\C=C\C(O)CC(=O)OC(C)(C)C
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n/an/a 8.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC3 in human DU-145 cells assessed as increase in histone H3 acetylation after 24 hrs by immunofluorescence microscopy


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01928
BindingDB Entry DOI: 10.7270/Q2H41WB8
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50585748
PNG
(CHEMBL5086240)
Show SMILES CC(C)(C)OC(=O)CC(O)\C=C\CCSSCC\C=C\C(O)CC(=O)OC(C)(C)C
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n/an/a 8.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC1 in human DU-145 cells assessed as increase in histone H3 acetylation after 24 hrs by immunofluorescence microscopy


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01928
BindingDB Entry DOI: 10.7270/Q2H41WB8
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50585748
PNG
(CHEMBL5086240)
Show SMILES CC(C)(C)OC(=O)CC(O)\C=C\CCSSCC\C=C\C(O)CC(=O)OC(C)(C)C
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n/an/a 1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length HDAC2 preincubated for 20 mins with DTT followed by enzyme addition and measured after 10 mins by Glo-lum...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01928
BindingDB Entry DOI: 10.7270/Q2H41WB8
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50585748
PNG
(CHEMBL5086240)
Show SMILES CC(C)(C)OC(=O)CC(O)\C=C\CCSSCC\C=C\C(O)CC(=O)OC(C)(C)C
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n/an/a 1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC2 in human DU-145 cells assessed as increase in histone H3 acetylation after 24 hrs by immunofluorescence microscopy


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01928
BindingDB Entry DOI: 10.7270/Q2H41WB8
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50585743
PNG
(CHEMBL5087342)
Show SMILES CCCC[C@@H](NC(=O)CC(O)\C=C\CCSSCC\C=C\C(O)CC(=O)N[C@H](CCCC)C(O)=O)C(O)=O |r|
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n/an/a 1.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length HDAC2 preincubated for 20 mins with DTT followed by enzyme addition and measured after 10 mins by Glo-lum...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01928
BindingDB Entry DOI: 10.7270/Q2H41WB8
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50585748
PNG
(CHEMBL5086240)
Show SMILES CC(C)(C)OC(=O)CC(O)\C=C\CCSSCC\C=C\C(O)CC(=O)OC(C)(C)C
PDB
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n/an/a 1.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC8 in human DU-145 cells assessed as increase in histone H3 acetylation after 24 hrs by immunofluorescence microscopy


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01928
BindingDB Entry DOI: 10.7270/Q2H41WB8
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50585748
PNG
(CHEMBL5086240)
Show SMILES CC(C)(C)OC(=O)CC(O)\C=C\CCSSCC\C=C\C(O)CC(=O)OC(C)(C)C
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n/an/a 1.20E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 in human DU-145 cells assessed as increase in histone H3 acetylation after 24 hrs by immunofluorescence microscopy


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01928
BindingDB Entry DOI: 10.7270/Q2H41WB8
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50585744
PNG
(CHEMBL5081652)
Show SMILES CCCC[C@@H](NC(=O)CC(O)\C=C\CCSSCC\C=C\C(O)CC(=O)N[C@H](CCCC)C(=O)OC)C(=O)OC |r|
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n/an/a 1.70E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length HDAC2 preincubated for 20 mins with DTT followed by enzyme addition and measured after 10 mins by Glo-lum...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01928
BindingDB Entry DOI: 10.7270/Q2H41WB8
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50585746
PNG
(CHEMBL5085306)
Show SMILES CC(C)(C)NC(=O)CC(O)\C=C\CCSSCC\C=C\C(O)CC(=O)NC(C)(C)C
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n/an/a 1.80E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length HDAC2 preincubated for 20 mins with DTT followed by enzyme addition and measured after 10 mins by Glo-lum...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01928
BindingDB Entry DOI: 10.7270/Q2H41WB8
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50585745
PNG
(CHEMBL5084611)
Show SMILES OC(CC(=O)Nc1ccccc1)\C=C\CCSSCC\C=C\C(O)CC(=O)Nc1ccccc1
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n/an/a 2.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length HDAC2 preincubated for 20 mins with DTT followed by enzyme addition and measured after 10 mins by Glo-lum...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01928
BindingDB Entry DOI: 10.7270/Q2H41WB8
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50585747
PNG
(CHEMBL5074871)
Show SMILES OC(CC(O)=O)\C=C\CCSSCC\C=C\C(O)CC(O)=O
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n/an/a 2.80E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length HDAC2 preincubated for 20 mins with DTT followed by enzyme addition and measured after 10 mins by Glo-lum...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01928
BindingDB Entry DOI: 10.7270/Q2H41WB8
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50585748
PNG
(CHEMBL5086240)
Show SMILES CC(C)(C)OC(=O)CC(O)\C=C\CCSSCC\C=C\C(O)CC(=O)OC(C)(C)C
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n/an/a 1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length HDAC2 incubated for 10 mins by Glo-luminescence assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01928
BindingDB Entry DOI: 10.7270/Q2H41WB8
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50585746
PNG
(CHEMBL5085306)
Show SMILES CC(C)(C)NC(=O)CC(O)\C=C\CCSSCC\C=C\C(O)CC(=O)NC(C)(C)C
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length HDAC2 incubated for 10 mins by Glo-luminescence assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01928
BindingDB Entry DOI: 10.7270/Q2H41WB8
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50585745
PNG
(CHEMBL5084611)
Show SMILES OC(CC(=O)Nc1ccccc1)\C=C\CCSSCC\C=C\C(O)CC(=O)Nc1ccccc1
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n/an/a 1.05E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length HDAC2 incubated for 10 mins by Glo-luminescence assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01928
BindingDB Entry DOI: 10.7270/Q2H41WB8
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50585747
PNG
(CHEMBL5074871)
Show SMILES OC(CC(O)=O)\C=C\CCSSCC\C=C\C(O)CC(O)=O
PDB
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n/an/a 1.40E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length HDAC2 incubated for 10 mins by Glo-luminescence assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01928
BindingDB Entry DOI: 10.7270/Q2H41WB8
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50585743
PNG
(CHEMBL5087342)
Show SMILES CCCC[C@@H](NC(=O)CC(O)\C=C\CCSSCC\C=C\C(O)CC(=O)N[C@H](CCCC)C(O)=O)C(O)=O |r|
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n/an/a 1.40E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length HDAC2 incubated for 10 mins by Glo-luminescence assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01928
BindingDB Entry DOI: 10.7270/Q2H41WB8
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50585744
PNG
(CHEMBL5081652)
Show SMILES CCCC[C@@H](NC(=O)CC(O)\C=C\CCSSCC\C=C\C(O)CC(=O)N[C@H](CCCC)C(=O)OC)C(=O)OC |r|
PDB
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n/an/a 2.80E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length HDAC2 incubated for 10 mins by Glo-luminescence assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01928
BindingDB Entry DOI: 10.7270/Q2H41WB8
More data for this
Ligand-Target Pair