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Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'felicetti' 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))
BDBM50485499
PNG
(CHEMBL2063484)
Show SMILES ONC(=O)CCCCCN1c2ccccc2Cc2ccccc2C1=O
Show InChI InChI=1S/C20H22N2O3/c23-19(21-25)12-2-1-7-13-22-18-11-6-4-9-16(18)14-15-8-3-5-10-17(15)20(22)24/h3-6,8-11,25H,1-2,7,12-14H2,(H,21,23)
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 42n/an/an/an/an/an/a



Menarini Ricerche Pomezia

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extracts using Fluor de Lys as substrate by fluorescence assay


Bioorg Med Chem Lett 22: 5360-2 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.067
BindingDB Entry DOI: 10.7270/Q22F7R9H
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50485500
PNG
(CHEMBL2063487)
Show SMILES ONC(=O)CCCCCN1c2ccccc2C(F)c2ccccc2C1=O
Show InChI InChI=1S/C20H21FN2O3/c21-19-14-8-3-4-9-15(14)20(25)23(17-11-6-5-10-16(17)19)13-7-1-2-12-18(24)22-26/h3-6,8-11,19,26H,1-2,7,12-13H2,(H,22,24)
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 53n/an/an/an/an/an/a



Menarini Ricerche Pomezia

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extracts using Fluor de Lys as substrate by fluorescence assay


Bioorg Med Chem Lett 22: 5360-2 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.067
BindingDB Entry DOI: 10.7270/Q22F7R9H
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50485501
PNG
(CHEMBL2063486)
Show SMILES ONC(=O)CCCCCN1c2ccccc2C(O)c2ccccc2C1=O
Show InChI InChI=1S/C20H22N2O4/c23-18(21-26)12-2-1-7-13-22-17-11-6-5-10-16(17)19(24)14-8-3-4-9-15(14)20(22)25/h3-6,8-11,19,24,26H,1-2,7,12-13H2,(H,21,23)
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 60n/an/an/an/an/an/a



Menarini Ricerche Pomezia

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extracts using Fluor de Lys as substrate by fluorescence assay


Bioorg Med Chem Lett 22: 5360-2 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.067
BindingDB Entry DOI: 10.7270/Q22F7R9H
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 79n/an/an/an/an/an/a



Menarini Ricerche Pomezia

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extracts using Fluor de Lys as substrate by fluorescence assay


Bioorg Med Chem Lett 22: 5360-2 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.067
BindingDB Entry DOI: 10.7270/Q22F7R9H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase


(Homo sapiens (Human))
BDBM50485502
PNG
(CHEMBL2063489)
Show SMILES ONC(=O)CCCCCN1c2ccccc2C(F)(F)c2ccccc2C1=O
Show InChI InChI=1S/C20H20F2N2O3/c21-20(22)15-9-4-3-8-14(15)19(26)24(17-11-6-5-10-16(17)20)13-7-1-2-12-18(25)23-27/h3-6,8-11,27H,1-2,7,12-13H2,(H,23,25)
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 111n/an/an/an/an/an/a



Menarini Ricerche Pomezia

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extracts using Fluor de Lys as substrate by fluorescence assay


Bioorg Med Chem Lett 22: 5360-2 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.067
BindingDB Entry DOI: 10.7270/Q22F7R9H
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50485503
PNG
(CHEMBL2063485)
Show SMILES ONC(=O)CCCCCn1c2ccccc2c(=O)c2ccccc2c1=O
Show InChI InChI=1S/C20H20N2O4/c23-18(21-26)12-2-1-7-13-22-17-11-6-5-10-16(17)19(24)14-8-3-4-9-15(14)20(22)25/h3-6,8-11,26H,1-2,7,12-13H2,(H,21,23)
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 153n/an/an/an/an/an/a



Menarini Ricerche Pomezia

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell extracts using Fluor de Lys as substrate by fluorescence assay


Bioorg Med Chem Lett 22: 5360-2 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.067
BindingDB Entry DOI: 10.7270/Q22F7R9H
More data for this
Ligand-Target Pair