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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50042694   
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 9


(Homo sapiens (Human))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 621n/an/an/an/an/a25



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of HDAC9 (unknown origin) assessed as fluorescence intensity measured after 60 mins incubation at room temperature by trypsin-free microfl...


J Med Chem 56: 1772-6 (2013)


Article DOI: 10.1021/jm301355j
BindingDB Entry DOI: 10.7270/Q2XK8GWB
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50429525
PNG
(CHEMBL2333346)
Show SMILES ONC(=O)C1=CCCC1 |t:4|
Show InChI InChI=1S/C6H9NO2/c8-6(7-9)5-3-1-2-4-5/h3,9H,1-2,4H2,(H,7,8)
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Article
PubMed
n/an/a>3.33E+4n/an/an/an/an/a25



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of HDAC9 (unknown origin) assessed as fluorescence intensity measured after 60 mins incubation at room temperature by trypsin-free microfl...


J Med Chem 56: 1772-6 (2013)


Article DOI: 10.1021/jm301355j
BindingDB Entry DOI: 10.7270/Q2XK8GWB
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50015184
PNG
(BENZHYDROXAMIC ACID | BENZOHYDROXAMATE | CHEMBL163...)
Show SMILES ONC(=O)c1ccccc1
Show InChI InChI=1S/C7H7NO2/c9-7(8-10)6-4-2-1-3-5-6/h1-5,10H,(H,8,9)
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PubMed
n/an/a>3.33E+4n/an/an/an/an/a25



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of HDAC9 (unknown origin) assessed as fluorescence intensity measured after 60 mins incubation at room temperature by trypsin-free microfl...


J Med Chem 56: 1772-6 (2013)


Article DOI: 10.1021/jm301355j
BindingDB Entry DOI: 10.7270/Q2XK8GWB
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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Article
PubMed
n/an/a>3.33E+4n/an/an/an/an/a25



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of HDAC9 (unknown origin) assessed as fluorescence intensity measured after 60 mins incubation at room temperature by trypsin-free microfl...


J Med Chem 56: 1772-6 (2013)


Article DOI: 10.1021/jm301355j
BindingDB Entry DOI: 10.7270/Q2XK8GWB
More data for this
Ligand-Target Pair