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Compile Data Set for Download or QSAR

Found 4 hits of ec50 for UniProtKB: Q9BY41   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 8


(Homo sapiens (Human))
BDBM25150
PNG
((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...)
Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+
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Article
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n/an/an/an/a 216n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113213
BindingDB Entry DOI: 10.7270/Q26Q2260
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM32203
PNG
(8-quinolinol | CHEMBL310555 | US10005735, Table 1....)
Show SMILES Oc1cccc2cccnc12
Show InChI InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
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n/an/an/an/a 1.11E+4n/an/an/an/a


TBA

Assay Description
Substrate-dependent activation of HDAC8 (unknown origin) using FLUOR DE LYS as substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115607
BindingDB Entry DOI: 10.7270/Q2W3811M
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50239391
PNG
(2-Mercapto-Benzoic Acid | CHEBI:59124 | THIOSALICY...)
Show SMILES OC(=O)c1ccccc1S
Show InChI InChI=1S/C7H6O2S/c8-7(9)5-3-1-2-4-6(5)10/h1-4,10H,(H,8,9)
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n/an/an/an/a 1.69E+4n/an/an/an/a


TBA

Assay Description
Substrate-dependent activation of HDAC8 (unknown origin) using FLUOR DE LYS as substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115607
BindingDB Entry DOI: 10.7270/Q2W3811M
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50465051
PNG
(CHEMBL4285950)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(CONC(=O)\C=C\c2cccc(c2)S(=O)(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C28H31BN2O6S/c1-27(2)28(3,4)37-29(36-27)23-16-13-22(14-17-23)20-35-30-26(32)18-15-21-9-8-12-25(19-21)38(33,34)31-24-10-6-5-7-11-24/h5-19,31H,20H2,1-4H3,(H,30,32)/b18-15+
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n/an/an/an/a 3.41E+5n/an/an/an/a



Xavier University of Louisiana

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 using RHK(Ac)K(Ac)AMC as substrate


ACS Med Chem Lett 9: 149-154 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00504
BindingDB Entry DOI: 10.7270/Q2S75K03
More data for this
Ligand-Target Pair