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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 6' and Ligand = 'BDBM50209835'   
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))
BDBM50209835
PNG
(CHEMBL3885496)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(=O)(=O)NCCCCCCC(=O)NO)C(F)(F)F
Show InChI InChI=1S/C24H27F3N4O4S/c1-17-7-9-18(10-8-17)21-16-22(24(25,26)27)29-31(21)19-11-13-20(14-12-19)36(34,35)28-15-5-3-2-4-6-23(32)30-33/h7-14,16,28,33H,2-6,15H2,1H3,(H,30,32)
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Similars

Article
PubMed
n/an/a 66n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) after 20 hrs by SAMDI mass spectroscopic analysis


Bioorg Med Chem 25: 1202-1218 (2017)


Article DOI: 10.1016/j.bmc.2016.12.032
BindingDB Entry DOI: 10.7270/Q2F76FJW
More data for this
Ligand-Target Pair