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PubMed code 23768910

Compile data set for download or QSAR
Found 12 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))
BDBM50492409
PNG
(CHEMBL2403445)
Show SMILES Cc1ccc2cc(sc2c1F)C(=O)NO
Show InChI InChI=1S/C10H8FNO2S/c1-5-2-3-6-4-7(10(13)12-14)15-9(6)8(5)11/h2-4,14H,1H3,(H,12,13)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 458n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells assessed as deacetylation of substrate by fluorescence plate reader analysis


Bioorg Med Chem Lett 23: 4091-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.053
BindingDB Entry DOI: 10.7270/Q22F7RCD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50492411
PNG
(CHEMBL2403453)
Show SMILES ONC(=O)c1cc2sccc2s1
Show InChI InChI=1S/C7H5NO2S2/c9-7(8-10)6-3-5-4(12-6)1-2-11-5/h1-3,10H,(H,8,9)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 557n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells assessed as deacetylation of substrate by fluorescence plate reader analysis


Bioorg Med Chem Lett 23: 4091-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.053
BindingDB Entry DOI: 10.7270/Q22F7RCD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50492406
PNG
(CHEMBL2403451)
Show SMILES Cc1cc2sc(cc2cc1O)C(=O)NO
Show InChI InChI=1S/C10H9NO3S/c1-5-2-8-6(3-7(5)12)4-9(15-8)10(13)11-14/h2-4,12,14H,1H3,(H,11,13)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 989n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells assessed as deacetylation of substrate by fluorescence plate reader analysis


Bioorg Med Chem Lett 23: 4091-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.053
BindingDB Entry DOI: 10.7270/Q22F7RCD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50492415
PNG
(CHEMBL2403452)
Show SMILES ONC(=O)c1cc2ccsc2s1
Show InChI InChI=1S/C7H5NO2S2/c9-6(8-10)5-3-4-1-2-11-7(4)12-5/h1-3,10H,(H,8,9)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.08E+3n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells assessed as deacetylation of substrate by fluorescence plate reader analysis


Bioorg Med Chem Lett 23: 4091-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.053
BindingDB Entry DOI: 10.7270/Q22F7RCD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50492414
PNG
(CHEMBL2403450)
Show SMILES COc1cc2cc(sc2cc1C)C(=O)NO
Show InChI InChI=1S/C11H11NO3S/c1-6-3-9-7(4-8(6)15-2)5-10(16-9)11(13)12-14/h3-5,14H,1-2H3,(H,12,13)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.35E+3n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells assessed as deacetylation of substrate by fluorescence plate reader analysis


Bioorg Med Chem Lett 23: 4091-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.053
BindingDB Entry DOI: 10.7270/Q22F7RCD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50492413
PNG
(CHEMBL2403444)
Show SMILES Cc1ccc2cc(sc2c1)C(=O)NO
Show InChI InChI=1S/C10H9NO2S/c1-6-2-3-7-5-9(10(12)11-13)14-8(7)4-6/h2-5,13H,1H3,(H,11,12)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.76E+3n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells assessed as deacetylation of substrate by fluorescence plate reader analysis


Bioorg Med Chem Lett 23: 4091-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.053
BindingDB Entry DOI: 10.7270/Q22F7RCD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50216024
PNG
(CHEMBL245946 | N-hydroxybenzo[b]thiophene-2-carbox...)
Show SMILES ONC(=O)c1cc2ccccc2s1
Show InChI InChI=1S/C9H7NO2S/c11-9(10-12)8-5-6-3-1-2-4-7(6)13-8/h1-5,12H,(H,10,11)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.17E+3n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells assessed as deacetylation of substrate by fluorescence plate reader analysis


Bioorg Med Chem Lett 23: 4091-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.053
BindingDB Entry DOI: 10.7270/Q22F7RCD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50492410
PNG
(CHEMBL2403446)
Show SMILES ONC(=O)c1cc2cccc(Cl)c2s1
Show InChI InChI=1S/C9H6ClNO2S/c10-6-3-1-2-5-4-7(9(12)11-13)14-8(5)6/h1-4,13H,(H,11,12)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.91E+3n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells assessed as deacetylation of substrate by fluorescence plate reader analysis


Bioorg Med Chem Lett 23: 4091-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.053
BindingDB Entry DOI: 10.7270/Q22F7RCD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50492407
PNG
(CHEMBL2403449)
Show SMILES COc1cccc2sc(cc12)C(=O)NO
Show InChI InChI=1S/C10H9NO3S/c1-14-7-3-2-4-8-6(7)5-9(15-8)10(12)11-13/h2-5,13H,1H3,(H,11,12)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.79E+3n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells assessed as deacetylation of substrate by fluorescence plate reader analysis


Bioorg Med Chem Lett 23: 4091-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.053
BindingDB Entry DOI: 10.7270/Q22F7RCD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50492408
PNG
(CHEMBL2403447)
Show SMILES ONC(=O)c1cc2cccc(c2s1)C(F)(F)F
Show InChI InChI=1S/C10H6F3NO2S/c11-10(12,13)6-3-1-2-5-4-7(9(15)14-16)17-8(5)6/h1-4,16H,(H,14,15)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.19E+3n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells assessed as deacetylation of substrate by fluorescence plate reader analysis


Bioorg Med Chem Lett 23: 4091-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.053
BindingDB Entry DOI: 10.7270/Q22F7RCD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50492412
PNG
(CHEMBL2403448)
Show SMILES ONC(=O)c1cc2c(Cl)cccc2s1
Show InChI InChI=1S/C9H6ClNO2S/c10-6-2-1-3-7-5(6)4-8(14-7)9(12)11-13/h1-4,13H,(H,11,12)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.16E+4n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells assessed as deacetylation of substrate by fluorescence plate reader analysis


Bioorg Med Chem Lett 23: 4091-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.053
BindingDB Entry DOI: 10.7270/Q22F7RCD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50492405
PNG
(CHEMBL246559)
Show SMILES ONC(=O)c1csc2ccccc12
Show InChI InChI=1S/C9H7NO2S/c11-9(10-12)7-5-13-8-4-2-1-3-6(7)8/h1-5,12H,(H,10,11)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.61E+4n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells assessed as deacetylation of substrate by fluorescence plate reader analysis


Bioorg Med Chem Lett 23: 4091-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.053
BindingDB Entry DOI: 10.7270/Q22F7RCD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%