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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 6' and Ligand = 'BDBM50042846'   
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))
BDBM50042846
PNG
(CHEMBL3098604)
Show SMILES Cc1cccc(NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCC(=O)N2)c1 |r|
Show InChI InChI=1S/C20H28N4O5/c1-13-6-5-7-14(12-13)21-19(27)15(8-3-2-4-9-18(26)24-29)23-20(28)16-10-11-17(25)22-16/h5-7,12,15-16,29H,2-4,8-11H2,1H3,(H,21,27)(H,22,25)(H,23,28)(H,24,26)/t15-,16+/m0/s1
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Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using RHKK(Ac) as substrate by fluorimetric analysis


Bioorg Med Chem Lett 24: 61-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.072
BindingDB Entry DOI: 10.7270/Q21839GT
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50042846
PNG
(CHEMBL3098604)
Show SMILES Cc1cccc(NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCC(=O)N2)c1 |r|
Show InChI InChI=1S/C20H28N4O5/c1-13-6-5-7-14(12-13)21-19(27)15(8-3-2-4-9-18(26)24-29)23-20(28)16-10-11-17(25)22-16/h5-7,12,15-16,29H,2-4,8-11H2,1H3,(H,21,27)(H,22,25)(H,23,28)(H,24,26)/t15-,16+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using RHKK(Ac) as substrate by fluorimetric analysis


Bioorg Med Chem Lett 25: 459-61 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.051
BindingDB Entry DOI: 10.7270/Q2445P3R
More data for this
Ligand-Target Pair