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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 = 'BDBM50209797'   
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))
BDBM50209797
PNG
(CHEMBL3885245)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCCCCCCC(=O)NO)c2c1
Show InChI InChI=1S/C27H32ClN3O5/c1-18-22(17-26(33)29-15-7-5-3-4-6-8-25(32)30-35)23-16-21(36-2)13-14-24(23)31(18)27(34)19-9-11-20(28)12-10-19/h9-14,16,35H,3-8,15,17H2,1-2H3,(H,29,33)(H,30,32)
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Similars

Article
PubMed
n/an/a 50n/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