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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 = 'BDBM50020911'   
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))
BDBM50020911
PNG
(CHEMBL3287269 | US9216962, CFH409-A)
Show SMILES CC(C)C1CC1c1sc(nc1C(=O)NCCCCC(=O)NO)-c1nccs1
Show InChI InChI=1S/C18H24N4O3S2/c1-10(2)11-9-12(11)15-14(21-18(27-15)17-20-7-8-26-17)16(24)19-6-4-3-5-13(23)22-25/h7-8,10-12,25H,3-6,9H2,1-2H3,(H,19,24)(H,22,23)
PDB
MMDB

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Similars

US Patent
n/an/a 188n/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))
BDBM50020911
PNG
(CHEMBL3287269 | US9216962, CFH409-A)
Show SMILES CC(C)C1CC1c1sc(nc1C(=O)NCCCCC(=O)NO)-c1nccs1
Show InChI InChI=1S/C18H24N4O3S2/c1-10(2)11-9-12(11)15-14(21-18(27-15)17-20-7-8-26-17)16(24)19-6-4-3-5-13(23)22-25/h7-8,10-12,25H,3-6,9H2,1-2H3,(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 190n/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