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PubMed code 27064299

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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 5


(Homo sapiens (Human))
BDBM49152
PNG
(5-chloranyl-7-[(4-ethylpiperazin-1-yl)-pyridin-3-y...)
Show SMILES CCN1CCN(CC1)C(c1cccnc1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C21H23ClN4O/c1-2-25-9-11-26(12-10-25)20(15-5-3-7-23-14-15)17-13-18(22)16-6-4-8-24-19(16)21(17)27/h3-8,13-14,20,27H,2,9-12H2,1H3
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n/an/a 850n/an/an/an/a7.4n/a



Broad Institute



Assay Description
Briefly, this fluorogenic assays uses an acetylated lysine tripeptide substrate, amide-linked to a fluorescently quenched aminocoumarin (AMC). Enzyme...


ACS Chem Biol 11: 1844-51 (2016)


Article DOI: 10.1021/acschembio.6b00012
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM49152
PNG
(5-chloranyl-7-[(4-ethylpiperazin-1-yl)-pyridin-3-y...)
Show SMILES CCN1CCN(CC1)C(c1cccnc1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C21H23ClN4O/c1-2-25-9-11-26(12-10-25)20(15-5-3-7-23-14-15)17-13-18(22)16-6-4-8-24-19(16)21(17)27/h3-8,13-14,20,27H,2,9-12H2,1H3
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PubMed
n/an/a 1.88E+3n/an/an/an/a7.4n/a



Broad Institute



Assay Description
Briefly, this fluorogenic assays uses an acetylated lysine tripeptide substrate, amide-linked to a fluorescently quenched aminocoumarin (AMC). Enzyme...


ACS Chem Biol 11: 1844-51 (2016)


Article DOI: 10.1021/acschembio.6b00012
More data for this
Ligand-Target Pair
Histone deacetylase 8 (HDAC8)


(Homo sapiens (Human))
BDBM49152
PNG
(5-chloranyl-7-[(4-ethylpiperazin-1-yl)-pyridin-3-y...)
Show SMILES CCN1CCN(CC1)C(c1cccnc1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C21H23ClN4O/c1-2-25-9-11-26(12-10-25)20(15-5-3-7-23-14-15)17-13-18(22)16-6-4-8-24-19(16)21(17)27/h3-8,13-14,20,27H,2,9-12H2,1H3
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n/an/a 3.89E+3n/an/an/an/a7.4n/a



Broad Institute



Assay Description
Briefly, this fluorogenic assays uses an acetylated lysine tripeptide substrate, amide-linked to a fluorescently quenched aminocoumarin (AMC). Enzyme...


ACS Chem Biol 11: 1844-51 (2016)


Article DOI: 10.1021/acschembio.6b00012
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM49152
PNG
(5-chloranyl-7-[(4-ethylpiperazin-1-yl)-pyridin-3-y...)
Show SMILES CCN1CCN(CC1)C(c1cccnc1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C21H23ClN4O/c1-2-25-9-11-26(12-10-25)20(15-5-3-7-23-14-15)17-13-18(22)16-6-4-8-24-19(16)21(17)27/h3-8,13-14,20,27H,2,9-12H2,1H3
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n/an/a 8.44E+3n/an/an/an/a7.4n/a



Broad Institute



Assay Description
Briefly, this fluorogenic assays uses an acetylated lysine tripeptide substrate, amide-linked to a fluorescently quenched aminocoumarin (AMC). Enzyme...


ACS Chem Biol 11: 1844-51 (2016)


Article DOI: 10.1021/acschembio.6b00012
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM49152
PNG
(5-chloranyl-7-[(4-ethylpiperazin-1-yl)-pyridin-3-y...)
Show SMILES CCN1CCN(CC1)C(c1cccnc1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C21H23ClN4O/c1-2-25-9-11-26(12-10-25)20(15-5-3-7-23-14-15)17-13-18(22)16-6-4-8-24-19(16)21(17)27/h3-8,13-14,20,27H,2,9-12H2,1H3
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PubMed
n/an/a 1.38E+4n/an/an/an/a7.4n/a



Broad Institute



Assay Description
Briefly, this fluorogenic assays uses an acetylated lysine tripeptide substrate, amide-linked to a fluorescently quenched aminocoumarin (AMC). Enzyme...


ACS Chem Biol 11: 1844-51 (2016)


Article DOI: 10.1021/acschembio.6b00012
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM49152
PNG
(5-chloranyl-7-[(4-ethylpiperazin-1-yl)-pyridin-3-y...)
Show SMILES CCN1CCN(CC1)C(c1cccnc1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C21H23ClN4O/c1-2-25-9-11-26(12-10-25)20(15-5-3-7-23-14-15)17-13-18(22)16-6-4-8-24-19(16)21(17)27/h3-8,13-14,20,27H,2,9-12H2,1H3
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PubMed
n/an/a 4.04E+4n/an/an/an/a7.4n/a



Broad Institute



Assay Description
Briefly, this fluorogenic assays uses an acetylated lysine tripeptide substrate, amide-linked to a fluorescently quenched aminocoumarin (AMC). Enzyme...


ACS Chem Biol 11: 1844-51 (2016)


Article DOI: 10.1021/acschembio.6b00012
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM49152
PNG
(5-chloranyl-7-[(4-ethylpiperazin-1-yl)-pyridin-3-y...)
Show SMILES CCN1CCN(CC1)C(c1cccnc1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C21H23ClN4O/c1-2-25-9-11-26(12-10-25)20(15-5-3-7-23-14-15)17-13-18(22)16-6-4-8-24-19(16)21(17)27/h3-8,13-14,20,27H,2,9-12H2,1H3
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PubMed
n/an/a 6.51E+4n/an/an/an/a7.4n/a



Broad Institute



Assay Description
Briefly, this fluorogenic assays uses an acetylated lysine tripeptide substrate, amide-linked to a fluorescently quenched aminocoumarin (AMC). Enzyme...


ACS Chem Biol 11: 1844-51 (2016)


Article DOI: 10.1021/acschembio.6b00012
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM49152
PNG
(5-chloranyl-7-[(4-ethylpiperazin-1-yl)-pyridin-3-y...)
Show SMILES CCN1CCN(CC1)C(c1cccnc1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C21H23ClN4O/c1-2-25-9-11-26(12-10-25)20(15-5-3-7-23-14-15)17-13-18(22)16-6-4-8-24-19(16)21(17)27/h3-8,13-14,20,27H,2,9-12H2,1H3
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PubMed
n/an/a 6.72E+4n/an/an/an/a7.4n/a



Broad Institute



Assay Description
Briefly, this fluorogenic assays uses an acetylated lysine tripeptide substrate, amide-linked to a fluorescently quenched aminocoumarin (AMC). Enzyme...


ACS Chem Biol 11: 1844-51 (2016)


Article DOI: 10.1021/acschembio.6b00012
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%