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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 8' and Ligand = 'BDBM50089657'   
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))
BDBM50089657
PNG
(CHEMBL3577298)
Show SMILES CC1=C(C)C(=O)C(CONC(=O)CCCCCCC(=O)Nc2ccccc2)=C(C)C1=O |c:1,t:27|
Show InChI InChI=1S/C24H30N2O5/c1-16-17(2)24(30)20(18(3)23(16)29)15-31-26-22(28)14-10-5-4-9-13-21(27)25-19-11-7-6-8-12-19/h6-8,11-12H,4-5,9-10,13-15H2,1-3H3,(H,25,27)(H,26,28)
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Article
PubMed
250n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity to human Zn2+-HDAC8 assessed as loss of activity by Fluor-de-Lys activity assay


J Med Chem 58: 4812-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00539
BindingDB Entry DOI: 10.7270/Q2HH6MTX
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50089657
PNG
(CHEMBL3577298)
Show SMILES CC1=C(C)C(=O)C(CONC(=O)CCCCCCC(=O)Nc2ccccc2)=C(C)C1=O |c:1,t:27|
Show InChI InChI=1S/C24H30N2O5/c1-16-17(2)24(30)20(18(3)23(16)29)15-31-26-22(28)14-10-5-4-9-13-21(27)25-19-11-7-6-8-12-19/h6-8,11-12H,4-5,9-10,13-15H2,1-3H3,(H,25,27)(H,26,28)
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UniChem

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Article
PubMed
7.00E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Reversible-time dependent inhibition of human wild type HDAC8 by Fluor-de-Lys activity assay


J Med Chem 58: 4812-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00539
BindingDB Entry DOI: 10.7270/Q2HH6MTX
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50089657
PNG
(CHEMBL3577298)
Show SMILES CC1=C(C)C(=O)C(CONC(=O)CCCCCCC(=O)Nc2ccccc2)=C(C)C1=O |c:1,t:27|
Show InChI InChI=1S/C24H30N2O5/c1-16-17(2)24(30)20(18(3)23(16)29)15-31-26-22(28)14-10-5-4-9-13-21(27)25-19-11-7-6-8-12-19/h6-8,11-12H,4-5,9-10,13-15H2,1-3H3,(H,25,27)(H,26,28)
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UniChem

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Article
PubMed
n/an/a 3.84E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 using MAZ1675 as fluorogenic substrate measured every 5 mins by optimized homogenous fluorescence based assay


J Med Chem 58: 4812-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00539
BindingDB Entry DOI: 10.7270/Q2HH6MTX
More data for this
Ligand-Target Pair