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PubMed code 18294844

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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))		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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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MCE
PC cid
PC sid
UniChem
Article
PubMed
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))		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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
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antibodypedia
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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))		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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
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GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
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))		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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
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))		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
PDB

KEGG

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MCE
PC cid
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UniChem
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PubMed
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))		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
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
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))		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)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
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CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
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
* indicates data uncertainty>20%