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PubMed code 31103900

Compile data set for download or QSAR
Found 36 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 1


(Homo sapiens (Human))		BDBM50525178
PNG
(CHEMBL4437852)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CSc2nccc(n2)C(F)(F)F)cc1
Show InChI InChI=1S/C19H15F3N4OS/c20-19(21,22)16-9-10-24-18(26-16)28-11-12-5-7-13(8-6-12)17(27)25-15-4-2-1-3-14(15)23/h1-10H,11,23H2,(H,25,27)
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n/an/a 11n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His tagged HDAC1 expressed in baculovirus infected insect cells assessed as decrease in deacetylation of FLUOR DE LYS...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50525180
PNG
(CHEMBL4446236)
Show SMILES COc1ccc(SCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1
Show InChI InChI=1S/C21H20N2O2S/c1-25-17-10-12-18(13-11-17)26-14-15-6-8-16(9-7-15)21(24)23-20-5-3-2-4-19(20)22/h2-13H,14,22H2,1H3,(H,23,24)
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n/an/a 16n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His tagged HDAC1 expressed in baculovirus infected insect cells assessed as decrease in deacetylation of FLUOR DE LYS...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50525181
PNG
(CHEMBL4437865)
Show SMILES Cc1cc(C)cc(SCc2ccc(cc2)C(=O)Nc2ccccc2N)c1
Show InChI InChI=1S/C22H22N2OS/c1-15-11-16(2)13-19(12-15)26-14-17-7-9-18(10-8-17)22(25)24-21-6-4-3-5-20(21)23/h3-13H,14,23H2,1-2H3,(H,24,25)
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n/an/a 20n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His tagged HDAC1 expressed in baculovirus infected insect cells assessed as decrease in deacetylation of FLUOR DE LYS...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50525179
PNG
(CHEMBL4450474)
Show SMILES CCc1ccc(SCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1
Show InChI InChI=1S/C22H22N2OS/c1-2-16-9-13-19(14-10-16)26-15-17-7-11-18(12-8-17)22(25)24-21-6-4-3-5-20(21)23/h3-14H,2,15,23H2,1H3,(H,24,25)
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n/an/a 71n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His tagged HDAC1 expressed in baculovirus infected insect cells assessed as decrease in deacetylation of FLUOR DE LYS...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50525180
PNG
(CHEMBL4446236)
Show SMILES COc1ccc(SCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1
Show InChI InChI=1S/C21H20N2O2S/c1-25-17-10-12-18(13-11-17)26-14-15-6-8-16(9-7-15)21(24)23-20-5-3-2-4-19(20)22/h2-13H,14,22H2,1H3,(H,23,24)
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Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3/NCOR1 assessed as decrease in deacetylation of FLUOR DE LYS SIRT1 substrate preincubated for 10 mins followed b...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50525181
PNG
(CHEMBL4437865)
Show SMILES Cc1cc(C)cc(SCc2ccc(cc2)C(=O)Nc2ccccc2N)c1
Show InChI InChI=1S/C22H22N2OS/c1-15-11-16(2)13-19(12-15)26-14-17-7-9-18(10-8-17)22(25)24-21-6-4-3-5-20(21)23/h3-13H,14,23H2,1-2H3,(H,24,25)
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n/an/a 139n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 assessed as decrease in deacetylation of FLUOR DE LYS Green substrate preincubated for 10 mins followed by subs...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50525179
PNG
(CHEMBL4450474)
Show SMILES CCc1ccc(SCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1
Show InChI InChI=1S/C22H22N2OS/c1-2-16-9-13-19(14-10-16)26-15-17-7-11-18(12-8-17)22(25)24-21-6-4-3-5-20(21)23/h3-14H,2,15,23H2,1H3,(H,24,25)
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n/an/a 144n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 assessed as decrease in deacetylation of FLUOR DE LYS Green substrate preincubated for 10 mins followed by subs...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50242817
PNG
(CHEMBL4087968)
Show SMILES Nc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)\C=C\c2cccnc2)cc1
Show InChI InChI=1S/C22H19FN4O2/c23-18-8-9-19(24)20(12-18)27-22(29)17-6-3-16(4-7-17)14-26-21(28)10-5-15-2-1-11-25-13-15/h1-13H,14,24H2,(H,26,28)(H,27,29)/b10-5+
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n/an/a 190n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His tagged HDAC1 expressed in baculovirus infected insect cells assessed as decrease in deacetylation of FLUOR DE LYS...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50525180
PNG
(CHEMBL4446236)
Show SMILES COc1ccc(SCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1
Show InChI InChI=1S/C21H20N2O2S/c1-25-17-10-12-18(13-11-17)26-14-15-6-8-16(9-7-15)21(24)23-20-5-3-2-4-19(20)22/h2-13H,14,22H2,1H3,(H,23,24)
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n/an/a 205n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 assessed as decrease in deacetylation of FLUOR DE LYS Green substrate preincubated for 10 mins followed by subs...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50525179
PNG
(CHEMBL4450474)
Show SMILES CCc1ccc(SCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1
Show InChI InChI=1S/C22H22N2OS/c1-2-16-9-13-19(14-10-16)26-15-17-7-11-18(12-8-17)22(25)24-21-6-4-3-5-20(21)23/h3-14H,2,15,23H2,1H3,(H,24,25)
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Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3/NCOR1 assessed as decrease in deacetylation of FLUOR DE LYS SIRT1 substrate preincubated for 10 mins followed b...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50242817
PNG
(CHEMBL4087968)
Show SMILES Nc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)\C=C\c2cccnc2)cc1
Show InChI InChI=1S/C22H19FN4O2/c23-18-8-9-19(24)20(12-18)27-22(29)17-6-3-16(4-7-17)14-26-21(28)10-5-15-2-1-11-25-13-15/h1-13H,14,24H2,(H,26,28)(H,27,29)/b10-5+
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n/an/a 234n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3/NCOR1 assessed as decrease in deacetylation of FLUOR DE LYS SIRT1 substrate preincubated for 10 mins followed b...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50525178
PNG
(CHEMBL4437852)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CSc2nccc(n2)C(F)(F)F)cc1
Show InChI InChI=1S/C19H15F3N4OS/c20-19(21,22)16-9-10-24-18(26-16)28-11-12-5-7-13(8-6-12)17(27)25-15-4-2-1-3-14(15)23/h1-10H,11,23H2,(H,25,27)
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Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3/NCOR1 assessed as decrease in deacetylation of FLUOR DE LYS SIRT1 substrate preincubated for 10 mins followed b...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50242817
PNG
(CHEMBL4087968)
Show SMILES Nc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)\C=C\c2cccnc2)cc1
Show InChI InChI=1S/C22H19FN4O2/c23-18-8-9-19(24)20(12-18)27-22(29)17-6-3-16(4-7-17)14-26-21(28)10-5-15-2-1-11-25-13-15/h1-13H,14,24H2,(H,26,28)(H,27,29)/b10-5+
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n/an/a 310n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 assessed as decrease in deacetylation of FLUOR DE LYS Green substrate preincubated for 10 mins followed by subs...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM50525181
PNG
(CHEMBL4437865)
Show SMILES Cc1cc(C)cc(SCc2ccc(cc2)C(=O)Nc2ccccc2N)c1
Show InChI InChI=1S/C22H22N2OS/c1-15-11-16(2)13-19(12-15)26-14-17-7-9-18(10-8-17)22(25)24-21-6-4-3-5-20(21)23/h3-13H,14,23H2,1-2H3,(H,24,25)
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n/an/a 381n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3/NCOR1 assessed as decrease in deacetylation of FLUOR DE LYS SIRT1 substrate preincubated for 10 mins followed b...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50525178
PNG
(CHEMBL4437852)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CSc2nccc(n2)C(F)(F)F)cc1
Show InChI InChI=1S/C19H15F3N4OS/c20-19(21,22)16-9-10-24-18(26-16)28-11-12-5-7-13(8-6-12)17(27)25-15-4-2-1-3-14(15)23/h1-10H,11,23H2,(H,25,27)
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n/an/a 441n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 assessed as decrease in deacetylation of FLUOR DE LYS Green substrate preincubated for 10 mins followed by subs...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50242817
PNG
(CHEMBL4087968)
Show SMILES Nc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)\C=C\c2cccnc2)cc1
Show InChI InChI=1S/C22H19FN4O2/c23-18-8-9-19(24)20(12-18)27-22(29)17-6-3-16(4-7-17)14-26-21(28)10-5-15-2-1-11-25-13-15/h1-13H,14,24H2,(H,26,28)(H,27,29)/b10-5+
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Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract assessed as decrease in deacetylation of FLUOR DE LYS Green substrate preincubated for 10 mins ...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM19422
PNG
(4-(acetylamino)-N-(2-amino-phenyl) benzamide | CI-...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
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n/an/a 1.67E+3n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His tagged HDAC1 expressed in baculovirus infected insect cells assessed as decrease in deacetylation of FLUOR DE LYS...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM19422
PNG
(4-(acetylamino)-N-(2-amino-phenyl) benzamide | CI-...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
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n/an/a 1.81E+3n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract assessed as decrease in deacetylation of FLUOR DE LYS Green substrate preincubated for 10 mins ...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM19422
PNG
(4-(acetylamino)-N-(2-amino-phenyl) benzamide | CI-...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
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n/an/a 1.92E+3n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 assessed as decrease in deacetylation of FLUOR DE LYS Green substrate preincubated for 10 mins followed by subs...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50525178
PNG
(CHEMBL4437852)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CSc2nccc(n2)C(F)(F)F)cc1
Show InChI InChI=1S/C19H15F3N4OS/c20-19(21,22)16-9-10-24-18(26-16)28-11-12-5-7-13(8-6-12)17(27)25-15-4-2-1-3-14(15)23/h1-10H,11,23H2,(H,25,27)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract assessed as decrease in deacetylation of FLUOR DE LYS Green substrate preincubated for 10 mins ...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50242817
PNG
(CHEMBL4087968)
Show SMILES Nc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)\C=C\c2cccnc2)cc1
Show InChI InChI=1S/C22H19FN4O2/c23-18-8-9-19(24)20(12-18)27-22(29)17-6-3-16(4-7-17)14-26-21(28)10-5-15-2-1-11-25-13-15/h1-13H,14,24H2,(H,26,28)(H,27,29)/b10-5+
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n/an/a 7.23E+3n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His tagged HDAC6 expressed in baculovirus infected insect cells assessed as decrease in deacetylation of FLUOR DE LYS...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50525181
PNG
(CHEMBL4437865)
Show SMILES Cc1cc(C)cc(SCc2ccc(cc2)C(=O)Nc2ccccc2N)c1
Show InChI InChI=1S/C22H22N2OS/c1-15-11-16(2)13-19(12-15)26-14-17-7-9-18(10-8-17)22(25)24-21-6-4-3-5-20(21)23/h3-13H,14,23H2,1-2H3,(H,24,25)
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n/an/a 1.07E+4n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract assessed as decrease in deacetylation of FLUOR DE LYS Green substrate preincubated for 10 mins ...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50525178
PNG
(CHEMBL4437852)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CSc2nccc(n2)C(F)(F)F)cc1
Show InChI InChI=1S/C19H15F3N4OS/c20-19(21,22)16-9-10-24-18(26-16)28-11-12-5-7-13(8-6-12)17(27)25-15-4-2-1-3-14(15)23/h1-10H,11,23H2,(H,25,27)
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n/an/a>3.20E+4n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 assessed as decrease in deacetylation of FLUOR DE LYS substrate preincubated for 10 mins followed by substrate ...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50242817
PNG
(CHEMBL4087968)
Show SMILES Nc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)\C=C\c2cccnc2)cc1
Show InChI InChI=1S/C22H19FN4O2/c23-18-8-9-19(24)20(12-18)27-22(29)17-6-3-16(4-7-17)14-26-21(28)10-5-15-2-1-11-25-13-15/h1-13H,14,24H2,(H,26,28)(H,27,29)/b10-5+
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n/an/a>3.20E+4n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 assessed as decrease in deacetylation of FLUOR DE LYS substrate preincubated for 10 mins followed by substrate ...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50525180
PNG
(CHEMBL4446236)
Show SMILES COc1ccc(SCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1
Show InChI InChI=1S/C21H20N2O2S/c1-25-17-10-12-18(13-11-17)26-14-15-6-8-16(9-7-15)21(24)23-20-5-3-2-4-19(20)22/h2-13H,14,22H2,1H3,(H,23,24)
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n/an/a>3.20E+4n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 assessed as decrease in deacetylation of FLUOR DE LYS substrate preincubated for 10 mins followed by substrate ...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50525179
PNG
(CHEMBL4450474)
Show SMILES CCc1ccc(SCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1
Show InChI InChI=1S/C22H22N2OS/c1-2-16-9-13-19(14-10-16)26-15-17-7-11-18(12-8-17)22(25)24-21-6-4-3-5-20(21)23/h3-14H,2,15,23H2,1H3,(H,24,25)
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n/an/a>3.20E+4n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 assessed as decrease in deacetylation of FLUOR DE LYS substrate preincubated for 10 mins followed by substrate ...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Nuclear receptor corepressor 1


(Homo sapiens (Human))		BDBM19422
PNG
(4-(acetylamino)-N-(2-amino-phenyl) benzamide | CI-...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
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n/an/a>3.20E+4n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3/NCOR1 assessed as decrease in deacetylation of FLUOR DE LYS SIRT1 substrate preincubated for 10 mins followed b...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50525181
PNG
(CHEMBL4437865)
Show SMILES Cc1cc(C)cc(SCc2ccc(cc2)C(=O)Nc2ccccc2N)c1
Show InChI InChI=1S/C22H22N2OS/c1-15-11-16(2)13-19(12-15)26-14-17-7-9-18(10-8-17)22(25)24-21-6-4-3-5-20(21)23/h3-13H,14,23H2,1-2H3,(H,24,25)
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n/an/a>3.20E+4n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 assessed as decrease in deacetylation of FLUOR DE LYS substrate preincubated for 10 mins followed by substrate ...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM19422
PNG
(4-(acetylamino)-N-(2-amino-phenyl) benzamide | CI-...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
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n/an/a>3.20E+4n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His tagged HDAC6 expressed in baculovirus infected insect cells assessed as decrease in deacetylation of FLUOR DE LYS...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50525180
PNG
(CHEMBL4446236)
Show SMILES COc1ccc(SCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1
Show InChI InChI=1S/C21H20N2O2S/c1-25-17-10-12-18(13-11-17)26-14-15-6-8-16(9-7-15)21(24)23-20-5-3-2-4-19(20)22/h2-13H,14,22H2,1H3,(H,23,24)
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n/an/a>3.20E+4n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His tagged HDAC6 expressed in baculovirus infected insect cells assessed as decrease in deacetylation of FLUOR DE LYS...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50525178
PNG
(CHEMBL4437852)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CSc2nccc(n2)C(F)(F)F)cc1
Show InChI InChI=1S/C19H15F3N4OS/c20-19(21,22)16-9-10-24-18(26-16)28-11-12-5-7-13(8-6-12)17(27)25-15-4-2-1-3-14(15)23/h1-10H,11,23H2,(H,25,27)
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n/an/a>3.20E+4n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His tagged HDAC6 expressed in baculovirus infected insect cells assessed as decrease in deacetylation of FLUOR DE LYS...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50525181
PNG
(CHEMBL4437865)
Show SMILES Cc1cc(C)cc(SCc2ccc(cc2)C(=O)Nc2ccccc2N)c1
Show InChI InChI=1S/C22H22N2OS/c1-15-11-16(2)13-19(12-15)26-14-17-7-9-18(10-8-17)22(25)24-21-6-4-3-5-20(21)23/h3-13H,14,23H2,1-2H3,(H,24,25)
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n/an/a>3.20E+4n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His tagged HDAC6 expressed in baculovirus infected insect cells assessed as decrease in deacetylation of FLUOR DE LYS...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM19422
PNG
(4-(acetylamino)-N-(2-amino-phenyl) benzamide | CI-...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
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n/an/a>3.20E+4n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 assessed as decrease in deacetylation of FLUOR DE LYS substrate preincubated for 10 mins followed by substrate ...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50525180
PNG
(CHEMBL4446236)
Show SMILES COc1ccc(SCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1
Show InChI InChI=1S/C21H20N2O2S/c1-25-17-10-12-18(13-11-17)26-14-15-6-8-16(9-7-15)21(24)23-20-5-3-2-4-19(20)22/h2-13H,14,22H2,1H3,(H,23,24)
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n/an/a>3.20E+4n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract assessed as decrease in deacetylation of FLUOR DE LYS Green substrate preincubated for 10 mins ...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50525179
PNG
(CHEMBL4450474)
Show SMILES CCc1ccc(SCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1
Show InChI InChI=1S/C22H22N2OS/c1-2-16-9-13-19(14-10-16)26-15-17-7-11-18(12-8-17)22(25)24-21-6-4-3-5-20(21)23/h3-14H,2,15,23H2,1H3,(H,24,25)
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n/an/a>3.20E+4n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract assessed as decrease in deacetylation of FLUOR DE LYS Green substrate preincubated for 10 mins ...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50525179
PNG
(CHEMBL4450474)
Show SMILES CCc1ccc(SCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1
Show InChI InChI=1S/C22H22N2OS/c1-2-16-9-13-19(14-10-16)26-15-17-7-11-18(12-8-17)22(25)24-21-6-4-3-5-20(21)23/h3-14H,2,15,23H2,1H3,(H,24,25)
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n/an/a>3.20E+4n/an/an/an/an/an/a



Beijing University of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His tagged HDAC6 expressed in baculovirus infected insect cells assessed as decrease in deacetylation of FLUOR DE LYS...

Eur J Med Chem 176: 195-207 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.007
BindingDB Entry DOI: 10.7270/Q2NG4V23
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%