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Compile Data Set for Download or QSAR

Found 23 hits with Last Name = 'del soldato' and Initial = 'p'   
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


(Homo sapiens (Human))
BDBM50482233
PNG
(CHEMBL1163161)
Show SMILES ONC(=O)CCCCCCOc1ccc(cc1)-c1cc(=S)ss1
Show InChI InChI=1S/C16H19NO3S3/c18-15(17-19)5-3-1-2-4-10-20-13-8-6-12(7-9-13)14-11-16(21)23-22-14/h6-9,11,19H,1-5,10H2,(H,17,18)
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n/an/a 10n/an/an/an/an/an/a



Sulfidris s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells extracts after 60 mins by fluorescence assay


Bioorg Med Chem 18: 4187-94 (2010)


Article DOI: 10.1016/j.bmc.2010.05.011
BindingDB Entry DOI: 10.7270/Q2PR7ZTD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50482232
PNG
(CHEMBL1165020)
Show SMILES ONC(=O)CCCCOc1ccc(cc1)-c1cc(=S)ss1
Show InChI InChI=1S/C14H15NO3S3/c16-13(15-17)3-1-2-8-18-11-6-4-10(5-7-11)12-9-14(19)21-20-12/h4-7,9,17H,1-3,8H2,(H,15,16)
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n/an/a 80n/an/an/an/an/an/a



Sulfidris s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells extracts after 60 mins by fluorescence assay


Bioorg Med Chem 18: 4187-94 (2010)


Article DOI: 10.1016/j.bmc.2010.05.011
BindingDB Entry DOI: 10.7270/Q2PR7ZTD
More data for this
Ligand-Target Pair
Histone deacetylase


(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

PDB
Article
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n/an/a 100n/an/an/an/an/an/a



Sulfidris s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells extracts after 60 mins by fluorescence assay


Bioorg Med Chem 18: 4187-94 (2010)


Article DOI: 10.1016/j.bmc.2010.05.011
BindingDB Entry DOI: 10.7270/Q2PR7ZTD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase


(Homo sapiens (Human))
BDBM50482238
PNG
(CHEMBL1164069)
Show SMILES O=C(CCCCCCC(=O)Nc1ccccc1)NOC(=O)c1csc(=S)s1
Show InChI InChI=1S/C18H20N2O4S3/c21-15(19-13-8-4-3-5-9-13)10-6-1-2-7-11-16(22)20-24-17(23)14-12-26-18(25)27-14/h3-5,8-9,12H,1-2,6-7,10-11H2,(H,19,21)(H,20,22)
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n/an/a 250n/an/an/an/an/an/a



Sulfidris s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells extracts after 60 mins by fluorescence assay


Bioorg Med Chem 18: 4187-94 (2010)


Article DOI: 10.1016/j.bmc.2010.05.011
BindingDB Entry DOI: 10.7270/Q2PR7ZTD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50478021
PNG
(CHEMBL402341)
Show SMILES Oc1ccc(cc1)-c1cc(=S)ss1
Show InChI InChI=1S/C9H6OS3/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5,10H
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n/an/a 450n/an/an/an/an/an/a



Sulfidris s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells extracts after 60 mins by fluorescence assay


Bioorg Med Chem 18: 4187-94 (2010)


Article DOI: 10.1016/j.bmc.2010.05.011
BindingDB Entry DOI: 10.7270/Q2PR7ZTD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50478021
PNG
(CHEMBL402341)
Show SMILES Oc1ccc(cc1)-c1cc(=S)ss1
Show InChI InChI=1S/C9H6OS3/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5,10H
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n/an/a 450n/an/an/an/an/an/a



Sulfidris s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC in HeLa cells


Bioorg Med Chem Lett 18: 1893-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.007
BindingDB Entry DOI: 10.7270/Q2SJ1PCV
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50482239
PNG
(CHEMBL1163989)
Show SMILES O=C(CCCCCCC(=O)Nc1ccccc1)NOC(=O)c1ccc(cc1)-c1cssc1=S
Show InChI InChI=1S/C24H24N2O4S3/c27-21(25-19-8-4-3-5-9-19)10-6-1-2-7-11-22(28)26-30-23(29)18-14-12-17(13-15-18)20-16-32-33-24(20)31/h3-5,8-9,12-16H,1-2,6-7,10-11H2,(H,25,27)(H,26,28)
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n/an/a 1.19E+3n/an/an/an/an/an/a



Sulfidris s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells extracts after 60 mins by fluorescence assay


Bioorg Med Chem 18: 4187-94 (2010)


Article DOI: 10.1016/j.bmc.2010.05.011
BindingDB Entry DOI: 10.7270/Q2PR7ZTD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50478020
PNG
(2-(Methylsulfonylthio)Ethyl 2-Propylpentanoate | C...)
Show SMILES CCCC(CCC)C(=O)OCCSS(C)(=O)=O
Show InChI InChI=1S/C11H22O4S2/c1-4-6-10(7-5-2)11(12)15-8-9-16-17(3,13)14/h10H,4-9H2,1-3H3
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n/an/a 9.60E+3n/an/an/an/an/an/a



Sulfidris s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC in HeLa cells


Bioorg Med Chem Lett 18: 1893-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.007
BindingDB Entry DOI: 10.7270/Q2SJ1PCV
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50482243
PNG
(CHEMBL1163582)
Show SMILES ONC(=O)CCCCCCC(=O)Oc1ccc(cc1)-c1cc(=S)ss1
Show InChI InChI=1S/C17H19NO4S3/c19-15(18-21)5-3-1-2-4-6-16(20)22-13-9-7-12(8-10-13)14-11-17(23)25-24-14/h7-11,21H,1-6H2,(H,18,19)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sulfidris s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells extracts after 60 mins by fluorescence assay


Bioorg Med Chem 18: 4187-94 (2010)


Article DOI: 10.1016/j.bmc.2010.05.011
BindingDB Entry DOI: 10.7270/Q2PR7ZTD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50478018
PNG
(CHEMBL255609)
Show SMILES CC(=O)c1ccc(cc1)-c1cc(=S)ss1
Show InChI InChI=1S/C11H8OS3/c1-7(12)8-2-4-9(5-3-8)10-6-11(13)15-14-10/h2-6H,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sulfidris s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC in HeLa cells


Bioorg Med Chem Lett 18: 1893-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.007
BindingDB Entry DOI: 10.7270/Q2SJ1PCV
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50478016
PNG
(CHEMBL257239)
Show SMILES CCCC(CCC)C(=O)NCCSS(C)(=O)=O
Show InChI InChI=1S/C11H23NO3S2/c1-4-6-10(7-5-2)11(13)12-8-9-16-17(3,14)15/h10H,4-9H2,1-3H3,(H,12,13)
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n/an/a 1.75E+4n/an/an/an/an/an/a



Sulfidris s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC in HeLa cells


Bioorg Med Chem Lett 18: 1893-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.007
BindingDB Entry DOI: 10.7270/Q2SJ1PCV
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50482235
PNG
(CHEMBL1165800)
Show SMILES Nc1ccccc1NC(=O)CCCCCCOc1ccc(cc1)-c1cc(=S)ss1
Show InChI InChI=1S/C22H24N2O2S3/c23-18-7-4-5-8-19(18)24-21(25)9-3-1-2-6-14-26-17-12-10-16(11-13-17)20-15-22(27)29-28-20/h4-5,7-8,10-13,15H,1-3,6,9,14,23H2,(H,24,25)
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n/an/a 3.20E+4n/an/an/an/an/an/a



Sulfidris s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells extracts after 60 mins by fluorescence assay


Bioorg Med Chem 18: 4187-94 (2010)


Article DOI: 10.1016/j.bmc.2010.05.011
BindingDB Entry DOI: 10.7270/Q2PR7ZTD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50482242
PNG
(ACS 5)
Show SMILES OC(=O)c1csc(=S)s1
Show InChI InChI=1S/C4H2O2S3/c5-3(6)2-1-8-4(7)9-2/h1H,(H,5,6)
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n/an/a 4.64E+4n/an/an/an/an/an/a



Sulfidris s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells extracts after 60 mins by fluorescence assay


Bioorg Med Chem 18: 4187-94 (2010)


Article DOI: 10.1016/j.bmc.2010.05.011
BindingDB Entry DOI: 10.7270/Q2PR7ZTD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50482241
PNG
(CHEMBL1163626)
Show SMILES O=C(CCCCOc1ccc(cc1)-c1cc(=S)ss1)Nc1ccccc1
Show InChI InChI=1S/C20H19NO2S3/c22-19(21-16-6-2-1-3-7-16)8-4-5-13-23-17-11-9-15(10-12-17)18-14-20(24)26-25-18/h1-3,6-7,9-12,14H,4-5,8,13H2,(H,21,22)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Sulfidris s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells extracts after 60 mins by fluorescence assay


Bioorg Med Chem 18: 4187-94 (2010)


Article DOI: 10.1016/j.bmc.2010.05.011
BindingDB Entry DOI: 10.7270/Q2PR7ZTD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50478019
PNG
(CHEMBL272134)
Show SMILES CCCC(CCC)C(=O)Oc1ccc(cc1)-c1cc(=S)ss1
Show InChI InChI=1S/C17H20O2S3/c1-3-5-13(6-4-2)17(18)19-14-9-7-12(8-10-14)15-11-16(20)22-21-15/h7-11,13H,3-6H2,1-2H3
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n/an/a 5.64E+4n/an/an/an/an/an/a



Sulfidris s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC in HeLa cells


Bioorg Med Chem Lett 18: 1893-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.007
BindingDB Entry DOI: 10.7270/Q2SJ1PCV
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50482237
PNG
(CHEMBL1163984)
Show SMILES COc1cc(ccc1OCC(O)=O)-c1cc(=S)ss1
Show InChI InChI=1S/C12H10O4S3/c1-15-9-4-7(10-5-12(17)19-18-10)2-3-8(9)16-6-11(13)14/h2-5H,6H2,1H3,(H,13,14)
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n/an/a 8.29E+4n/an/an/an/an/an/a



Sulfidris s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells extracts after 60 mins by fluorescence assay


Bioorg Med Chem 18: 4187-94 (2010)


Article DOI: 10.1016/j.bmc.2010.05.011
BindingDB Entry DOI: 10.7270/Q2PR7ZTD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50482236
PNG
(CHEMBL1163983)
Show SMILES OC(=O)c1ccc(cc1)-c1cssc1=S
Show InChI InChI=1S/C10H6O2S3/c11-9(12)7-3-1-6(2-4-7)8-5-14-15-10(8)13/h1-5H,(H,11,12)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sulfidris s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells extracts after 60 mins by fluorescence assay


Bioorg Med Chem 18: 4187-94 (2010)


Article DOI: 10.1016/j.bmc.2010.05.011
BindingDB Entry DOI: 10.7270/Q2PR7ZTD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50482234
PNG
(CHEMBL1163627)
Show SMILES O=C(CCCCCCC(=O)Oc1ccc(cc1)-c1cc(=S)ss1)Nc1ccccc1
Show InChI InChI=1S/C23H23NO3S3/c25-21(24-18-8-4-3-5-9-18)10-6-1-2-7-11-22(26)27-19-14-12-17(13-15-19)20-16-23(28)30-29-20/h3-5,8-9,12-16H,1-2,6-7,10-11H2,(H,24,25)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sulfidris s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells extracts after 60 mins by fluorescence assay


Bioorg Med Chem 18: 4187-94 (2010)


Article DOI: 10.1016/j.bmc.2010.05.011
BindingDB Entry DOI: 10.7270/Q2PR7ZTD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50478017
PNG
(CHEMBL271923 | S-3-Hydroxyethyl Methanesulfonothio...)
Show SMILES CS(=O)(=O)SCCO
Show InChI InChI=1S/C3H8O3S2/c1-8(5,6)7-3-2-4/h4H,2-3H2,1H3
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n/an/a 1.02E+5n/an/an/an/an/an/a



Sulfidris s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC in HeLa cells


Bioorg Med Chem Lett 18: 1893-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.007
BindingDB Entry DOI: 10.7270/Q2SJ1PCV
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50482240
PNG
(CHEMBL1163674)
Show SMILES O=C(CCCc1ccccc1)Oc1ccc(cc1)-c1cssc1=S
Show InChI InChI=1S/C19H16O2S3/c20-18(8-4-7-14-5-2-1-3-6-14)21-16-11-9-15(10-12-16)17-13-23-24-19(17)22/h1-3,5-6,9-13H,4,7-8H2
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n/an/a 1.79E+5n/an/an/an/an/an/a



Sulfidris s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells extracts after 60 mins by fluorescence assay


Bioorg Med Chem 18: 4187-94 (2010)


Article DOI: 10.1016/j.bmc.2010.05.011
BindingDB Entry DOI: 10.7270/Q2PR7ZTD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50203071
PNG
((2-aminoethyl)methanethiosulphonate | CHEMBL256738...)
Show SMILES CS(=O)(=O)SCCN
Show InChI InChI=1S/C3H9NO2S2/c1-8(5,6)7-3-2-4/h2-4H2,1H3
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n/an/a 1.98E+5n/an/an/an/an/an/a



Sulfidris s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC in HeLa cells


Bioorg Med Chem Lett 18: 1893-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.007
BindingDB Entry DOI: 10.7270/Q2SJ1PCV
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50482244
PNG
(CHEMBL1163624)
Show SMILES O=C(CCCCCCOc1ccc(cc1)-c1cc(=S)ss1)Nc1ccccc1
Show InChI InChI=1S/C22H23NO2S3/c24-21(23-18-8-4-3-5-9-18)10-6-1-2-7-15-25-19-13-11-17(12-14-19)20-16-22(26)28-27-20/h3-5,8-9,11-14,16H,1-2,6-7,10,15H2,(H,23,24)
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n/an/a 9.19E+5n/an/an/an/an/an/a



Sulfidris s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells extracts after 60 mins by fluorescence assay


Bioorg Med Chem 18: 4187-94 (2010)


Article DOI: 10.1016/j.bmc.2010.05.011
BindingDB Entry DOI: 10.7270/Q2PR7ZTD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50003616
PNG
(2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...)
Show SMILES CCCC(CCC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
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n/an/a 9.95E+5n/an/an/an/an/an/a



Sulfidris s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC in HeLa cells


Bioorg Med Chem Lett 18: 1893-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.007
BindingDB Entry DOI: 10.7270/Q2SJ1PCV
More data for this
Ligand-Target Pair