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Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'passariello' and Initial = 'c'   
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 4


(Homo sapiens (Human))
BDBM50002747
PNG
(CHEMBL217546)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H16ClN3O3S/c16-11-6-4-10(5-7-11)12-9-14(21)18-15(17-12)23-8-2-1-3-13(20)19-22/h4-7,9,22H,1-3,8H2,(H,19,20)(H,17,18,21)
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n/an/a 2.83n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD1-A (mean)


Bioorg Med Chem Lett 17: 1221-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.028
BindingDB Entry DOI: 10.7270/Q29W0H0K
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50002746
PNG
(CHEMBL217545)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C15H16ClN3O3S/c16-11-5-3-4-10(8-11)12-9-14(21)18-15(17-12)23-7-2-1-6-13(20)19-22/h3-5,8-9,22H,1-2,6-7H2,(H,19,20)(H,17,18,21)
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n/an/a 5.65n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD1-A (mean)


Bioorg Med Chem Lett 17: 1221-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.028
BindingDB Entry DOI: 10.7270/Q29W0H0K
More data for this
Ligand-Target Pair
Histone deacetylase


(Zea mays)
BDBM50002746
PNG
(CHEMBL217545)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C15H16ClN3O3S/c16-11-5-3-4-10(8-11)12-9-14(21)18-15(17-12)23-7-2-1-6-13(20)19-22/h3-5,8-9,22H,1-2,6-7H2,(H,19,20)(H,17,18,21)
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n/an/a 11.3n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD1-B (mean)


Bioorg Med Chem Lett 17: 1221-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.028
BindingDB Entry DOI: 10.7270/Q29W0H0K
More data for this
Ligand-Target Pair
Histone deacetylase


(Zea mays)
BDBM50002747
PNG
(CHEMBL217546)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H16ClN3O3S/c16-11-6-4-10(5-7-11)12-9-14(21)18-15(17-12)23-8-2-1-3-13(20)19-22/h4-7,9,22H,1-3,8H2,(H,19,20)(H,17,18,21)
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n/an/a 11.3n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD1-B (mean)


Bioorg Med Chem Lett 17: 1221-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.028
BindingDB Entry DOI: 10.7270/Q29W0H0K
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50002746
PNG
(CHEMBL217545)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C15H16ClN3O3S/c16-11-5-3-4-10(8-11)12-9-14(21)18-15(17-12)23-7-2-1-6-13(20)19-22/h3-5,8-9,22H,1-2,6-7H2,(H,19,20)(H,17,18,21)
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n/an/a 17n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD2 (mean)


Bioorg Med Chem Lett 17: 1221-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.028
BindingDB Entry DOI: 10.7270/Q29W0H0K
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50002747
PNG
(CHEMBL217546)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H16ClN3O3S/c16-11-6-4-10(5-7-11)12-9-14(21)18-15(17-12)23-8-2-1-3-13(20)19-22/h4-7,9,22H,1-3,8H2,(H,19,20)(H,17,18,21)
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n/an/a 17n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD2 (mean)


Bioorg Med Chem Lett 17: 1221-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.028
BindingDB Entry DOI: 10.7270/Q29W0H0K
More data for this
Ligand-Target Pair
Histone deacetylase


(Zea mays)
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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PubMed
n/an/a 26.5n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD1-B (mean)


Bioorg Med Chem Lett 17: 1221-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.028
BindingDB Entry DOI: 10.7270/Q29W0H0K
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Mus musculus (Mouse))
BDBM50002746
PNG
(CHEMBL217545)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C15H16ClN3O3S/c16-11-5-3-4-10(8-11)12-9-14(21)18-15(17-12)23-7-2-1-6-13(20)19-22/h3-5,8-9,22H,1-2,6-7H2,(H,19,20)(H,17,18,21)
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n/an/a 36.7n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of mouse HDAC1 (mean)


Bioorg Med Chem Lett 17: 1221-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.028
BindingDB Entry DOI: 10.7270/Q29W0H0K
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
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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n/an/a 49.2n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD2 (mean)


Bioorg Med Chem Lett 17: 1221-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.028
BindingDB Entry DOI: 10.7270/Q29W0H0K
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Mus musculus (Mouse))
BDBM50002747
PNG
(CHEMBL217546)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H16ClN3O3S/c16-11-6-4-10(5-7-11)12-9-14(21)18-15(17-12)23-8-2-1-3-13(20)19-22/h4-7,9,22H,1-3,8H2,(H,19,20)(H,17,18,21)
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n/an/a 50.9n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of mouse HDAC1 (mean)


Bioorg Med Chem Lett 17: 1221-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.028
BindingDB Entry DOI: 10.7270/Q29W0H0K
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Mus musculus (Mouse))
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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n/an/a 113n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of mouse HDAC1 (mean)


Bioorg Med Chem Lett 17: 1221-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.028
BindingDB Entry DOI: 10.7270/Q29W0H0K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 4


(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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PubMed
n/an/a 177n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD1-A (mean)


Bioorg Med Chem Lett 17: 1221-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.028
BindingDB Entry DOI: 10.7270/Q29W0H0K
More data for this
Ligand-Target Pair