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Compile Data Set for Download or QSAR

Found 3 hits with Last Name = 'bunha' and Initial = 'm'   
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 8


(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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MMDB

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Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8


Bioorg Med Chem Lett 20: 3906-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.020
BindingDB Entry DOI: 10.7270/Q2TD9Z97
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50321384
PNG
(CHEMBL1169978 | N-hydroxy-4-(2-(2-hydroxybenzylide...)
Show SMILES ONC(=O)N1CCN(CC1)C(=S)NN=Cc1ccccc1O |w:14.15|
Show InChI InChI=1S/C13H17N5O3S/c19-11-4-2-1-3-10(11)9-14-15-13(22)18-7-5-17(6-8-18)12(20)16-21/h1-4,9,19,21H,5-8H2,(H,15,22)(H,16,20)
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n/an/a 3.37E+4n/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8


Bioorg Med Chem Lett 20: 3906-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.020
BindingDB Entry DOI: 10.7270/Q2TD9Z97
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50321385
PNG
(4-(2-(4-chlorobenzylidene)hydrazinecarbonothioyl)-...)
Show SMILES ONC(=O)N1CCN(CC1)C(=S)NN=Cc1ccc(Cl)cc1 |w:14.15|
Show InChI InChI=1S/C13H16ClN5O2S/c14-11-3-1-10(2-4-11)9-15-16-13(22)19-7-5-18(6-8-19)12(20)17-21/h1-4,9,21H,5-8H2,(H,16,22)(H,17,20)
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n/an/a 4.32E+4n/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8


Bioorg Med Chem Lett 20: 3906-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.020
BindingDB Entry DOI: 10.7270/Q2TD9Z97
More data for this
Ligand-Target Pair