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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 = 'BDBM50229192'   
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))
BDBM50229192
PNG
(CHEMBL398420 | US9096559, 14f | US9096559, 9 | [4-...)
Show SMILES COC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1
Show InChI InChI=1S/C22H21N3O3/c1-28-22(27)24-14-15-7-9-17(10-8-15)21(26)25-20-13-18(11-12-19(20)23)16-5-3-2-4-6-16/h2-13H,14,23H2,1H3,(H,24,27)(H,25,26)
PDB
MMDB

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Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC6


Bioorg Med Chem Lett 18: 726-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.047
BindingDB Entry DOI: 10.7270/Q28W3D1M
More data for this
Ligand-Target Pair