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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 6' and Ligand = 'BDBM50232354'   
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))
BDBM50232354
PNG
(CHEMBL4066920)
Show SMILES CN(C)Cc1cn(Cc2ccc(cc2)C(=O)NO)c2ccccc12
Show InChI InChI=1S/C19H21N3O2/c1-21(2)12-16-13-22(18-6-4-3-5-17(16)18)11-14-7-9-15(10-8-14)19(23)20-24/h3-10,13,24H,11-12H2,1-2H3,(H,20,23)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
PDB
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Similars

Article
PubMed
n/an/a 21.7n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 expressed in Sf9 cells using RHKK(Ac) as substrate after 90 mins by fluorimet...


Eur J Med Chem 127: 115-127 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.039
BindingDB Entry DOI: 10.7270/Q20K2BT4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50232354
PNG
(CHEMBL4066920)
Show SMILES CN(C)Cc1cn(Cc2ccc(cc2)C(=O)NO)c2ccccc12
Show InChI InChI=1S/C19H21N3O2/c1-21(2)12-16-13-22(18-6-4-3-5-17(16)18)11-14-7-9-15(10-8-14)19(23)20-24/h3-10,13,24H,11-12H2,1-2H3,(H,20,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 158n/an/an/an/an/an/a



European Molecular Biology Laboratory

Curated by ChEMBL


Assay Description
Inhibition of dye-labeled tracer binding to HDAC6 (unknown origin) transfected in human HeLa cells measured after 2 hrs by nano-luciferase reporter g...


J Med Chem 62: 4426-4443 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01936
BindingDB Entry DOI: 10.7270/Q26H4MTC
More data for this
Ligand-Target Pair