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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 = 'BDBM50300003'   
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))
BDBM50300003
PNG
(3-[5-(Trifluoroacetyl)thiophen-2-yl]benzoic Acid |...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(s1)C(=O)C(F)(F)F
Show InChI InChI=1S/C13H7F3O3S/c14-13(15,16)11(17)10-5-4-9(20-10)7-2-1-3-8(6-7)12(18)19/h1-6H,(H,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Istituto Di Ricerche Di Biologia Molecolare

Curated by ChEMBL


Assay Description
Inhibition of HDAC6


J Med Chem 52: 6782-9 (2009)


Article DOI: 10.1021/jm900555u
BindingDB Entry DOI: 10.7270/Q2J966F8
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50300003
PNG
(3-[5-(Trifluoroacetyl)thiophen-2-yl]benzoic Acid |...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(s1)C(=O)C(F)(F)F
Show InChI InChI=1S/C13H7F3O3S/c14-13(15,16)11(17)10-5-4-9(20-10)7-2-1-3-8(6-7)12(18)19/h1-6H,(H,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



Istituto Di Ricerche Di Biologia Molecolare

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 in human HCT116 cells assessed as alpha-tubulin hyperacetylation after 24 hrs


J Med Chem 52: 6782-9 (2009)


Article DOI: 10.1021/jm900555u
BindingDB Entry DOI: 10.7270/Q2J966F8
More data for this
Ligand-Target Pair