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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 6' and Ligand = 'BDBM50283689'   
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 6


(Homo sapiens (Human))
BDBM50283689
PNG
(CHEMBL4160632)
Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCOCC1
Show InChI InChI=1S/C22H25N3O5/c26-19(23-29)7-2-1-3-10-25-21(27)16-6-4-5-15-18(24-11-13-30-14-12-24)9-8-17(20(15)16)22(25)28/h4-6,8-9,29H,1-3,7,10-14H2,(H,23,26)
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Article
PubMed
n/an/a 0.650n/an/an/an/an/an/a



"G. D'Annunzio" University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length HDAC6 expressed in baculovirus infected Sf9 cells using Boc-Lys(acetyl)-AMC as substrate after 30 mins by...


Eur J Med Chem 143: 1543-1552 (2018)


Article DOI: 10.1016/j.ejmech.2017.10.022
BindingDB Entry DOI: 10.7270/Q2028V2K
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50283689
PNG
(CHEMBL4160632)
Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCOCC1
Show InChI InChI=1S/C22H25N3O5/c26-19(23-29)7-2-1-3-10-25-21(27)16-6-4-5-15-18(24-11-13-30-14-12-24)9-8-17(20(15)16)22(25)28/h4-6,8-9,29H,1-3,7,10-14H2,(H,23,26)
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Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


Eur J Med Chem 162: 321-333 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.020
BindingDB Entry DOI: 10.7270/Q2JQ14BB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50283689
PNG
(CHEMBL4160632)
Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCOCC1
Show InChI InChI=1S/C22H25N3O5/c26-19(23-29)7-2-1-3-10-25-21(27)16-6-4-5-15-18(24-11-13-30-14-12-24)9-8-17(20(15)16)22(25)28/h4-6,8-9,29H,1-3,7,10-14H2,(H,23,26)
PDB
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in Baculovirus infected insect cells using RHKK-Ac as subs...


Eur J Med Chem 162: 321-333 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.020
BindingDB Entry DOI: 10.7270/Q2JQ14BB
More data for this
Ligand-Target Pair