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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 = 'BDBM50430972'   
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))
BDBM50430972
PNG
(CHEMBL2337862)
Show SMILES CN(C)c1ccc(cc1)-n1cc(Cn2cccc(O)c2=S)nn1
Show InChI InChI=1S/C16H17N5OS/c1-19(2)13-5-7-14(8-6-13)21-11-12(17-18-21)10-20-9-3-4-15(22)16(20)23/h3-9,11,22H,10H2,1-2H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.02E+3n/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) after 60 mins by SAMDI spectrophotometric analysis


J Med Chem 56: 3492-506 (2013)


Article DOI: 10.1021/jm301769u
BindingDB Entry DOI: 10.7270/Q29C6ZSC
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50430972
PNG
(CHEMBL2337862)
Show SMILES CN(C)c1ccc(cc1)-n1cc(Cn2cccc(O)c2=S)nn1
Show InChI InChI=1S/C16H17N5OS/c1-19(2)13-5-7-14(8-6-13)21-11-12(17-18-21)10-20-9-3-4-15(22)16(20)23/h3-9,11,22H,10H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 1.02E+3n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair