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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 = 'BDBM50209790'   
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))
BDBM50209790
PNG
(CHEMBL3885367)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCCCCCC(=O)NO)c2c1
Show InChI InChI=1S/C26H30ClN3O5/c1-17-21(16-25(32)28-14-6-4-3-5-7-24(31)29-34)22-15-20(35-2)12-13-23(22)30(17)26(33)18-8-10-19(27)11-9-18/h8-13,15,34H,3-7,14,16H2,1-2H3,(H,28,32)(H,29,31)
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Similars

Article
PubMed
n/an/a 49n/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