BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 6' and Ligand = 'BDBM50020898'   
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))
BDBM50020898
PNG
(CHEMBL3287256 | US9216962, CFH409)
Show SMILES ONC(=O)CCCCNC(=O)c1nc(sc1C1CCCCC1)-c1nccs1
Show InChI InChI=1S/C18H24N4O3S2/c23-13(22-25)8-4-5-9-19-16(24)14-15(12-6-2-1-3-7-12)27-18(21-14)17-20-10-11-26-17/h10-12,25H,1-9H2,(H,19,24)(H,22,23)
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 748n/an/an/an/an/an/a



Shanghai Puyi Chemical Co., Ltd.

US Patent


Assay Description
Enzyme activity of HDAC1,3 is determined using the substrate Ac-Lys-Tyr-Lys(Ac)-AMC while the enzyme activity of HDAC6 is assayed using the substrate...


US Patent US9216962 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7G3F
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50020898
PNG
(CHEMBL3287256 | US9216962, CFH409)
Show SMILES ONC(=O)CCCCNC(=O)c1nc(sc1C1CCCCC1)-c1nccs1
Show InChI InChI=1S/C18H24N4O3S2/c23-13(22-25)8-4-5-9-19-16(24)14-15(12-6-2-1-3-7-12)27-18(21-14)17-20-10-11-26-17/h10-12,25H,1-9H2,(H,19,24)(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 750n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Boc-Lys(epsilon-acetyl)-AMC as substrate after 3 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair