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PubMed code 20036560

Compile data set for download or QSAR
Found 5 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))
BDBM50481610
PNG
(CHEMBL609609)
Show SMILES F\C(CS)=C/CCCCCNC(=O)c1ccccc1
Show InChI InChI=1S/C15H20FNOS/c16-14(12-19)10-6-1-2-7-11-17-15(18)13-8-4-3-5-9-13/h3-5,8-10,19H,1-2,6-7,11-12H2,(H,17,18)/b14-10-
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 290n/an/an/an/an/an/a



Saga University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract by fluorescence assay


Bioorg Med Chem 18: 605-11 (2010)


Article DOI: 10.1016/j.bmc.2009.12.005
BindingDB Entry DOI: 10.7270/Q20C4ZMK
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481612
PNG
(CHEMBL596660)
Show SMILES CN(C)c1ccc(NC(=O)CCCCC\C=C(/F)CS)cc1
Show InChI InChI=1S/C17H25FN2OS/c1-20(2)16-11-9-15(10-12-16)19-17(21)8-6-4-3-5-7-14(18)13-22/h7,9-12,22H,3-6,8,13H2,1-2H3,(H,19,21)/b14-7-
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 300n/an/an/an/an/an/a



Saga University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract by fluorescence assay


Bioorg Med Chem 18: 605-11 (2010)


Article DOI: 10.1016/j.bmc.2009.12.005
BindingDB Entry DOI: 10.7270/Q20C4ZMK
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481613
PNG
(CHEMBL597443)
Show SMILES F\C(CS)=C/CCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C15H20FNOS/c16-13(12-19)8-4-1-2-7-11-15(18)17-14-9-5-3-6-10-14/h3,5-6,8-10,19H,1-2,4,7,11-12H2,(H,17,18)/b13-8-
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 360n/an/an/an/an/an/a



Saga University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract by fluorescence assay


Bioorg Med Chem 18: 605-11 (2010)


Article DOI: 10.1016/j.bmc.2009.12.005
BindingDB Entry DOI: 10.7270/Q20C4ZMK
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50481611
PNG
(CHEMBL599968)
Show SMILES F\C(CS)=C/CCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H18FNOS/c15-12(11-18)7-3-1-6-10-14(17)16-13-8-4-2-5-9-13/h2,4-5,7-9,18H,1,3,6,10-11H2,(H,16,17)/b12-7-
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 510n/an/an/an/an/an/a



Saga University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract by fluorescence assay


Bioorg Med Chem 18: 605-11 (2010)


Article DOI: 10.1016/j.bmc.2009.12.005
BindingDB Entry DOI: 10.7270/Q20C4ZMK
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)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Saga University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract by fluorescence assay


Bioorg Med Chem 18: 605-11 (2010)


Article DOI: 10.1016/j.bmc.2009.12.005
BindingDB Entry DOI: 10.7270/Q20C4ZMK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%