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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 = 'BDBM50047966'   
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))
BDBM50047966
PNG
(CHEMBL3314860)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1nnc(Cc2c[nH]c3ccccc23)o1
Show InChI InChI=1S/C20H16N4O3/c25-18(24-26)10-7-13-5-8-14(9-6-13)20-23-22-19(27-20)11-15-12-21-17-4-2-1-3-16(15)17/h1-10,12,21,26H,11H2,(H,24,25)/b10-7+
PDB
MMDB

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KEGG

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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 30n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 pre-incubated at room temperature for 15 min before substrate addition by fluorimetric assay


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair