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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 = 'BDBM50148627'   
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))
BDBM50148627
PNG
(CHEMBL3771312)
Show SMILES ONC(=O)c1csc(n1)-c1cccnc1
Show InChI InChI=1S/C9H7N3O2S/c13-8(12-14)7-5-15-9(11-7)6-2-1-3-10-4-6/h1-5,14H,(H,12,13)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human full length HDAC6 expressed in baculovirus infected sf9 insect cells using fluorogenic HDAC substrate3 as s...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.10.040
BindingDB Entry DOI: 10.7270/Q25H7KV7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50148627
PNG
(CHEMBL3771312)
Show SMILES ONC(=O)c1csc(n1)-c1cccnc1
Show InChI InChI=1S/C9H7N3O2S/c13-8(12-14)7-5-15-9(11-7)6-2-1-3-10-4-6/h1-5,14H,(H,12,13)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair