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Compile Data Set for Download or QSAR

Found 10 hits of kd for monomerid = 19149   
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 1


(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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n/an/an/a 40n/an/an/an/an/a



University of Applied Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay


Bioorg Med Chem 20: 985-95 (2012)


Article DOI: 10.1016/j.bmc.2011.11.041
BindingDB Entry DOI: 10.7270/Q2QJ7HRC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(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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n/an/an/a 163n/an/an/a8.0n/a



Genentech, Inc.



Assay Description
Specifically, the experiments were conducted in black 384-well polypropylene plates (Corning Glass) in a 15-ul reaction volume consisting of 11 nM HD...


J Biol Chem 288: 26926-43 (2013)


Article DOI: 10.1074/jbc.M113.490706
BindingDB Entry DOI: 10.7270/Q2KK99MZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 2


(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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n/an/an/a 182n/an/an/a8.0n/a



Genentech, Inc.



Assay Description
Specifically, the experiments were conducted in black 384-well polypropylene plates (Corning Glass) in a 15-ul reaction volume consisting of 11 nM HD...


J Biol Chem 288: 26926-43 (2013)


Article DOI: 10.1074/jbc.M113.490706
BindingDB Entry DOI: 10.7270/Q2KK99MZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(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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n/an/an/a 300n/an/an/an/an/a



University of Applied Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay


Bioorg Med Chem 20: 985-95 (2012)


Article DOI: 10.1016/j.bmc.2011.11.041
BindingDB Entry DOI: 10.7270/Q2QJ7HRC
More data for this
Ligand-Target Pair
Histone deacetylase-like amidohydrolase


(Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)
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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n/an/an/a 300n/an/an/an/an/a



University of Applied Sciences

Curated by ChEMBL


Assay Description
Inhibition of Bordetella FB188 HDAH using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay


Bioorg Med Chem 20: 985-95 (2012)


Article DOI: 10.1016/j.bmc.2011.11.041
BindingDB Entry DOI: 10.7270/Q2QJ7HRC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/an/a 580n/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant HDAC8 by fluorescence assay


Medchemcomm 6: 613-618 (2015)


BindingDB Entry DOI: 10.7270/Q2H70HPV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/an/a 1.20E+3n/an/an/a7.5n/a



North Dakota State University



Assay Description
A fixed concentration of 1.5 µM was titrated with an increasing concentration of the respective inhibitor in protein storage buffer containing 5...


Biochemistry 52: 8139-49 (2013)


Article DOI: 10.1021/bi400740x
BindingDB Entry DOI: 10.7270/Q2TM78T0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/an/a 2.90E+3n/an/an/an/an/a



University of Applied Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 using Boc-L-Lys(trifluoroacetyl)-MCA as substrate by fluorogenic enzymatic assay


Bioorg Med Chem 20: 985-95 (2012)


Article DOI: 10.1016/j.bmc.2011.11.041
BindingDB Entry DOI: 10.7270/Q2QJ7HRC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/an/a 6.80E+3n/an/an/an/an/a



North Dakota State University



Assay Description
To determine the dissociation rate of the inhibitor, 1 µM HDAC8 and 20 µM inhibitor (syringe I) were mixed with 100 µM c-SAHA (syringe...


Biochemistry 52: 8139-49 (2013)


Article DOI: 10.1021/bi400740x
BindingDB Entry DOI: 10.7270/Q2TM78T0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 7


(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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n/an/an/a 3.60E+4n/an/an/an/an/a



University of Applied Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC7 using Boc-L-Lys(trifluoroacetyl)-MCA as substrate by fluorogenic enzymatic assay


Bioorg Med Chem 20: 985-95 (2012)


Article DOI: 10.1016/j.bmc.2011.11.041
BindingDB Entry DOI: 10.7270/Q2QJ7HRC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)