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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 = 'BDBM50517575'   
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))
BDBM50517575
PNG
(CHEMBL4473451)
Show SMILES ONC(=O)c1ccc(CN2c3ccccc3[S+]([O-])c3ccccc23)cc1
Show InChI InChI=1S/C20H16N2O3S/c23-20(21-24)15-11-9-14(10-12-15)13-22-16-5-1-3-7-18(16)26(25)19-8-4-2-6-17(19)22/h1-12,24H,13H2,(H,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 21n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus-infected Sf9 cells using Boc-Lys (acetyl)-AMC as substrate prein...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113419
BindingDB Entry DOI: 10.7270/Q2ST7TN4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50517575
PNG
(CHEMBL4473451)
Show SMILES ONC(=O)c1ccc(CN2c3ccccc3[S+]([O-])c3ccccc23)cc1
Show InChI InChI=1S/C20H16N2O3S/c23-20(21-24)15-11-9-14(10-12-15)13-22-16-5-1-3-7-18(16)26(25)19-8-4-2-6-17(19)22/h1-12,24H,13H2,(H,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 77n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incubated ...


J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
BindingDB Entry DOI: 10.7270/Q2J67MB7
More data for this
Ligand-Target Pair