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PubMed code 25874326

Compile data set for download or QSAR
Found 60 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))		BDBM50082211
PNG
(CHEMBL3421742)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCc2nc(no2)-c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C23H20N6O4/c24-19-3-1-2-4-20(19)26-23(30)17-7-5-15(6-8-17)13-25-14-21-27-22(28-33-21)16-9-11-18(12-10-16)29(31)32/h1-12,25H,13-14,24H2,(H,26,30)
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n/an/a 60n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50082261
PNG
(CHEMBL3421746)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCc2nc(no2)-c2ccccc2Cl)cc1
Show InChI InChI=1S/C23H20ClN5O2/c24-18-6-2-1-5-17(18)22-28-21(31-29-22)14-26-13-15-9-11-16(12-10-15)23(30)27-20-8-4-3-7-19(20)25/h1-12,26H,13-14,25H2,(H,27,30)
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n/an/a 70n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50082210
PNG
(CHEMBL3421741)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCc2nc(no2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C23H20ClN5O2/c24-18-11-9-16(10-12-18)22-28-21(31-29-22)14-26-13-15-5-7-17(8-6-15)23(30)27-20-4-2-1-3-19(20)25/h1-12,26H,13-14,25H2,(H,27,30)
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n/an/a 90n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50082213
PNG
(CHEMBL3421743)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCc2nc(no2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H20FN5O2/c24-18-11-9-16(10-12-18)22-28-21(31-29-22)14-26-13-15-5-7-17(8-6-15)23(30)27-20-4-2-1-3-19(20)25/h1-12,26H,13-14,25H2,(H,27,30)
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n/an/a 110n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
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/a 150n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50082211
PNG
(CHEMBL3421742)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCc2nc(no2)-c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C23H20N6O4/c24-19-3-1-2-4-20(19)26-23(30)17-7-5-15(6-8-17)13-25-14-21-27-22(28-33-21)16-9-11-18(12-10-16)29(31)32/h1-12,25H,13-14,24H2,(H,26,30)
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n/an/a 150n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50082208
PNG
(CHEMBL3421739)
Show SMILES COc1ccc(cc1)-c1noc(CNCc2ccc(cc2)C(=O)Nc2ccccc2N)n1
Show InChI InChI=1S/C24H23N5O3/c1-31-19-12-10-17(11-13-19)23-28-22(32-29-23)15-26-14-16-6-8-18(9-7-16)24(30)27-21-5-3-2-4-20(21)25/h2-13,26H,14-15,25H2,1H3,(H,27,30)
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n/an/a 180n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50082262
PNG
(CHEMBL3421747)
Show SMILES ONC(=O)c1ccc(CNCc2nc(no2)-c2ccccc2)cc1
Show InChI InChI=1S/C17H16N4O3/c22-17(20-23)14-8-6-12(7-9-14)10-18-11-15-19-16(21-24-15)13-4-2-1-3-5-13/h1-9,18,23H,10-11H2,(H,20,22)
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n/an/a 200n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC8 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50082207
PNG
(CHEMBL3421738)
Show SMILES Cc1ccc(cc1)-c1noc(CNCc2ccc(cc2)C(=O)Nc2ccccc2N)n1
Show InChI InChI=1S/C24H23N5O2/c1-16-6-10-18(11-7-16)23-28-22(31-29-23)15-26-14-17-8-12-19(13-9-17)24(30)27-21-5-3-2-4-20(21)25/h2-13,26H,14-15,25H2,1H3,(H,27,30)
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50082268
PNG
(CHEMBL3421753)
Show SMILES ONC(=O)c1ccc(CNCc2nc(no2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H15FN4O3/c18-14-7-5-12(6-8-14)16-20-15(25-22-16)10-19-9-11-1-3-13(4-2-11)17(23)21-24/h1-8,19,24H,9-10H2,(H,21,23)
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n/an/a 230n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC8 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
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/a 280n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50082213
PNG
(CHEMBL3421743)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCc2nc(no2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H20FN5O2/c24-18-11-9-16(10-12-18)22-28-21(31-29-22)14-26-13-15-5-7-17(8-6-15)23(30)27-20-4-2-1-3-19(20)25/h1-12,26H,13-14,25H2,(H,27,30)
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n/an/a 280n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50082206
PNG
(CHEMBL3421737)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCc2nc(no2)-c2ccccc2)cc1
Show InChI InChI=1S/C23H21N5O2/c24-19-8-4-5-9-20(19)26-23(29)18-12-10-16(11-13-18)14-25-15-21-27-22(28-30-21)17-6-2-1-3-7-17/h1-13,25H,14-15,24H2,(H,26,29)
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n/an/a 280n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50082208
PNG
(CHEMBL3421739)
Show SMILES COc1ccc(cc1)-c1noc(CNCc2ccc(cc2)C(=O)Nc2ccccc2N)n1
Show InChI InChI=1S/C24H23N5O3/c1-31-19-12-10-17(11-13-19)23-28-22(32-29-23)15-26-14-16-6-8-18(9-7-16)24(30)27-21-5-3-2-4-20(21)25/h2-13,26H,14-15,25H2,1H3,(H,27,30)
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50082261
PNG
(CHEMBL3421746)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCc2nc(no2)-c2ccccc2Cl)cc1
Show InChI InChI=1S/C23H20ClN5O2/c24-18-6-2-1-5-17(18)22-28-21(31-29-22)14-26-13-15-9-11-16(12-10-15)23(30)27-20-8-4-3-7-19(20)25/h1-12,26H,13-14,25H2,(H,27,30)
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50082266
PNG
(CHEMBL3421751)
Show SMILES ONC(=O)c1ccc(CNCc2nc(no2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H15ClN4O3/c18-14-7-5-12(6-8-14)16-20-15(25-22-16)10-19-9-11-1-3-13(4-2-11)17(23)21-24/h1-8,19,24H,9-10H2,(H,21,23)
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n/an/a 350n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC8 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50082267
PNG
(CHEMBL3421752)
Show SMILES ONC(=O)c1ccc(CNCc2nc(no2)-c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C17H15N5O5/c23-17(20-24)13-3-1-11(2-4-13)9-18-10-15-19-16(21-27-15)12-5-7-14(8-6-12)22(25)26/h1-8,18,24H,9-10H2,(H,20,23)
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n/an/a 380n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC8 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM19410
PNG
(CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)
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n/an/a 390n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50082210
PNG
(CHEMBL3421741)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCc2nc(no2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C23H20ClN5O2/c24-18-11-9-16(10-12-18)22-28-21(31-29-22)14-26-13-15-5-7-17(8-6-15)23(30)27-20-4-2-1-3-19(20)25/h1-12,26H,13-14,25H2,(H,27,30)
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n/an/a 430n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50082206
PNG
(CHEMBL3421737)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCc2nc(no2)-c2ccccc2)cc1
Show InChI InChI=1S/C23H21N5O2/c24-19-8-4-5-9-20(19)26-23(29)18-12-10-16(11-13-18)14-25-15-21-27-22(28-30-21)17-6-2-1-3-7-17/h1-13,25H,14-15,24H2,(H,26,29)
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n/an/a 530n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50082207
PNG
(CHEMBL3421738)
Show SMILES Cc1ccc(cc1)-c1noc(CNCc2ccc(cc2)C(=O)Nc2ccccc2N)n1
Show InChI InChI=1S/C24H23N5O2/c1-16-6-10-18(11-7-16)23-28-22(31-29-23)15-26-14-17-8-12-19(13-9-17)24(30)27-21-5-3-2-4-20(21)25/h2-13,26H,14-15,25H2,1H3,(H,27,30)
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n/an/a 560n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM19410
PNG
(CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)
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n/an/a 650n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50082264
PNG
(CHEMBL3421749)
Show SMILES COc1ccc(cc1)-c1noc(CNCc2ccc(cc2)C(=O)NO)n1
Show InChI InChI=1S/C18H18N4O4/c1-25-15-8-6-13(7-9-15)17-20-16(26-22-17)11-19-10-12-2-4-14(5-3-12)18(23)21-24/h2-9,19,24H,10-11H2,1H3,(H,21,23)
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n/an/a 860n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC8 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50082263
PNG
(CHEMBL3421748)
Show SMILES Cc1ccc(cc1)-c1noc(CNCc2ccc(cc2)C(=O)NO)n1
Show InChI InChI=1S/C18H18N4O3/c1-12-2-6-14(7-3-12)17-20-16(25-22-17)11-19-10-13-4-8-15(9-5-13)18(23)21-24/h2-9,19,24H,10-11H2,1H3,(H,21,23)
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n/an/a 1.25E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC8 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50082265
PNG
(CHEMBL3421750)
Show SMILES ONC(=O)c1ccc(CNCc2nc(no2)-c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C18H15F3N4O3/c19-18(20,21)14-7-5-12(6-8-14)16-23-15(28-25-16)10-22-9-11-1-3-13(4-2-11)17(26)24-27/h1-8,22,27H,9-10H2,(H,24,26)
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n/an/a 1.36E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC8 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
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/a 1.68E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC8 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50082267
PNG
(CHEMBL3421752)
Show SMILES ONC(=O)c1ccc(CNCc2nc(no2)-c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C17H15N5O5/c23-17(20-24)13-3-1-11(2-4-13)9-18-10-15-19-16(21-27-15)12-5-7-14(8-6-12)22(25)26/h1-8,18,24H,9-10H2,(H,20,23)
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n/an/a 2.67E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50082209
PNG
(CHEMBL3421740)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCc2nc(no2)-c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C24H20F3N5O2/c25-24(26,27)18-11-9-16(10-12-18)22-31-21(34-32-22)14-29-13-15-5-7-17(8-6-15)23(33)30-20-4-2-1-3-19(20)28/h1-12,29H,13-14,28H2,(H,30,33)
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n/an/a 2.75E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50082268
PNG
(CHEMBL3421753)
Show SMILES ONC(=O)c1ccc(CNCc2nc(no2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H15FN4O3/c18-14-7-5-12(6-8-14)16-20-15(25-22-16)10-19-9-11-1-3-13(4-2-11)17(23)21-24/h1-8,19,24H,9-10H2,(H,21,23)
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n/an/a 3.53E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50082233
PNG
(CHEMBL3421744)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCc2nc(no2)-c2cccs2)cc1
Show InChI InChI=1S/C21H19N5O2S/c22-16-4-1-2-5-17(16)24-21(27)15-9-7-14(8-10-15)12-23-13-19-25-20(26-28-19)18-6-3-11-29-18/h1-11,23H,12-13,22H2,(H,24,27)
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n/an/a 3.85E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50082266
PNG
(CHEMBL3421751)
Show SMILES ONC(=O)c1ccc(CNCc2nc(no2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H15ClN4O3/c18-14-7-5-12(6-8-14)16-20-15(25-22-16)10-19-9-11-1-3-13(4-2-11)17(23)21-24/h1-8,19,24H,9-10H2,(H,21,23)
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n/an/a 3.85E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50082233
PNG
(CHEMBL3421744)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCc2nc(no2)-c2cccs2)cc1
Show InChI InChI=1S/C21H19N5O2S/c22-16-4-1-2-5-17(16)24-21(27)15-9-7-14(8-10-15)12-23-13-19-25-20(26-28-19)18-6-3-11-29-18/h1-11,23H,12-13,22H2,(H,24,27)
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n/an/a 4.39E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50082247
PNG
(CHEMBL3421745)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCc2nc(no2)-c2cccnc2)cc1
Show InChI InChI=1S/C22H20N6O2/c23-18-5-1-2-6-19(18)26-22(29)16-9-7-15(8-10-16)12-25-14-20-27-21(28-30-20)17-4-3-11-24-13-17/h1-11,13,25H,12,14,23H2,(H,26,29)
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n/an/a 5.26E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50082262
PNG
(CHEMBL3421747)
Show SMILES ONC(=O)c1ccc(CNCc2nc(no2)-c2ccccc2)cc1
Show InChI InChI=1S/C17H16N4O3/c22-17(20-23)14-8-6-12(7-9-14)10-18-11-15-19-16(21-24-15)13-4-2-1-3-5-13/h1-9,18,23H,10-11H2,(H,20,22)
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n/an/a 5.73E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50082209
PNG
(CHEMBL3421740)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCc2nc(no2)-c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C24H20F3N5O2/c25-24(26,27)18-11-9-16(10-12-18)22-31-21(34-32-22)14-29-13-15-5-7-17(8-6-15)23(33)30-20-4-2-1-3-19(20)28/h1-12,29H,13-14,28H2,(H,30,33)
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n/an/a 5.93E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50082263
PNG
(CHEMBL3421748)
Show SMILES Cc1ccc(cc1)-c1noc(CNCc2ccc(cc2)C(=O)NO)n1
Show InChI InChI=1S/C18H18N4O3/c1-12-2-6-14(7-3-12)17-20-16(25-22-17)11-19-10-13-4-8-15(9-5-13)18(23)21-24/h2-9,19,24H,10-11H2,1H3,(H,21,23)
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n/an/a 6.86E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50082268
PNG
(CHEMBL3421753)
Show SMILES ONC(=O)c1ccc(CNCc2nc(no2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H15FN4O3/c18-14-7-5-12(6-8-14)16-20-15(25-22-16)10-19-9-11-1-3-13(4-2-11)17(23)21-24/h1-8,19,24H,9-10H2,(H,21,23)
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n/an/a 7.69E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50082269
PNG
(CHEMBL3421754)
Show SMILES ONC(=O)c1ccc(CNCc2nc(no2)-c2cccs2)cc1
Show InChI InChI=1S/C15H14N4O3S/c20-15(18-21)11-5-3-10(4-6-11)8-16-9-13-17-14(19-22-13)12-2-1-7-23-12/h1-7,16,21H,8-9H2,(H,18,20)
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n/an/a 8.26E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC8 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50082264
PNG
(CHEMBL3421749)
Show SMILES COc1ccc(cc1)-c1noc(CNCc2ccc(cc2)C(=O)NO)n1
Show InChI InChI=1S/C18H18N4O4/c1-25-15-8-6-13(7-9-15)17-20-16(26-22-17)11-19-10-12-2-4-14(5-3-12)18(23)21-24/h2-9,19,24H,10-11H2,1H3,(H,21,23)
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n/an/a 8.32E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50082247
PNG
(CHEMBL3421745)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCc2nc(no2)-c2cccnc2)cc1
Show InChI InChI=1S/C22H20N6O2/c23-18-5-1-2-6-19(18)26-22(29)16-9-7-15(8-10-16)12-25-14-20-27-21(28-30-20)17-4-3-11-24-13-17/h1-11,13,25H,12,14,23H2,(H,26,29)
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n/an/a 8.37E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50082266
PNG
(CHEMBL3421751)
Show SMILES ONC(=O)c1ccc(CNCc2nc(no2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H15ClN4O3/c18-14-7-5-12(6-8-14)16-20-15(25-22-16)10-19-9-11-1-3-13(4-2-11)17(23)21-24/h1-8,19,24H,9-10H2,(H,21,23)
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n/an/a 8.52E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50082267
PNG
(CHEMBL3421752)
Show SMILES ONC(=O)c1ccc(CNCc2nc(no2)-c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C17H15N5O5/c23-17(20-24)13-3-1-11(2-4-13)9-18-10-15-19-16(21-27-15)12-5-7-14(8-6-12)22(25)26/h1-8,18,24H,9-10H2,(H,20,23)
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n/an/a 9.23E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50082265
PNG
(CHEMBL3421750)
Show SMILES ONC(=O)c1ccc(CNCc2nc(no2)-c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C18H15F3N4O3/c19-18(20,21)14-7-5-12(6-8-14)16-23-15(28-25-16)10-22-9-11-1-3-13(4-2-11)17(26)24-27/h1-8,22,27H,9-10H2,(H,24,26)
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n/an/a 9.63E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50082233
PNG
(CHEMBL3421744)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCc2nc(no2)-c2cccs2)cc1
Show InChI InChI=1S/C21H19N5O2S/c22-16-4-1-2-5-17(16)24-21(27)15-9-7-14(8-10-15)12-23-13-19-25-20(26-28-19)18-6-3-11-29-18/h1-11,23H,12-13,22H2,(H,24,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC8 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50082264
PNG
(CHEMBL3421749)
Show SMILES COc1ccc(cc1)-c1noc(CNCc2ccc(cc2)C(=O)NO)n1
Show InChI InChI=1S/C18H18N4O4/c1-25-15-8-6-13(7-9-15)17-20-16(26-22-17)11-19-10-12-2-4-14(5-3-12)18(23)21-24/h2-9,19,24H,10-11H2,1H3,(H,21,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50082261
PNG
(CHEMBL3421746)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCc2nc(no2)-c2ccccc2Cl)cc1
Show InChI InChI=1S/C23H20ClN5O2/c24-18-6-2-1-5-17(18)22-28-21(31-29-22)14-26-13-15-9-11-16(12-10-15)23(30)27-20-8-4-3-7-19(20)25/h1-12,26H,13-14,25H2,(H,27,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC8 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50082209
PNG
(CHEMBL3421740)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCc2nc(no2)-c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C24H20F3N5O2/c25-24(26,27)18-11-9-16(10-12-18)22-31-21(34-32-22)14-29-13-15-5-7-17(8-6-15)23(33)30-20-4-2-1-3-19(20)28/h1-12,29H,13-14,28H2,(H,30,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC8 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50082269
PNG
(CHEMBL3421754)
Show SMILES ONC(=O)c1ccc(CNCc2nc(no2)-c2cccs2)cc1
Show InChI InChI=1S/C15H14N4O3S/c20-15(18-21)11-5-3-10(4-6-11)8-16-9-13-17-14(19-22-13)12-2-1-7-23-12/h1-7,16,21H,8-9H2,(H,18,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50082262
PNG
(CHEMBL3421747)
Show SMILES ONC(=O)c1ccc(CNCc2nc(no2)-c2ccccc2)cc1
Show InChI InChI=1S/C17H16N4O3/c22-17(20-23)14-8-6-12(7-9-14)10-18-11-15-19-16(21-24-15)13-4-2-1-3-5-13/h1-9,18,23H,10-11H2,(H,20,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50082213
PNG
(CHEMBL3421743)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCc2nc(no2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H20FN5O2/c24-18-11-9-16(10-12-18)22-28-21(31-29-22)14-26-13-15-5-7-17(8-6-15)23(30)27-20-4-2-1-3-19(20)25/h1-12,26H,13-14,25H2,(H,27,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC8 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50082210
PNG
(CHEMBL3421741)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCc2nc(no2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C23H20ClN5O2/c24-18-11-9-16(10-12-18)22-28-21(31-29-22)14-26-13-15-5-7-17(8-6-15)23(30)27-20-4-2-1-3-19(20)25/h1-12,26H,13-14,25H2,(H,27,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC8 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50082265
PNG
(CHEMBL3421750)
Show SMILES ONC(=O)c1ccc(CNCc2nc(no2)-c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C18H15F3N4O3/c19-18(20,21)14-7-5-12(6-8-14)16-23-15(28-25-16)10-22-9-11-1-3-13(4-2-11)17(26)24-27/h1-8,22,27H,9-10H2,(H,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM19410
PNG
(CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC8 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50082247
PNG
(CHEMBL3421745)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCc2nc(no2)-c2cccnc2)cc1
Show InChI InChI=1S/C22H20N6O2/c23-18-5-1-2-6-19(18)26-22(29)16-9-7-15(8-10-16)12-25-14-20-27-21(28-30-20)17-4-3-11-24-13-17/h1-11,13,25H,12,14,23H2,(H,26,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC8 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50082211
PNG
(CHEMBL3421742)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCc2nc(no2)-c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C23H20N6O4/c24-19-3-1-2-4-20(19)26-23(30)17-7-5-15(6-8-17)13-25-14-21-27-22(28-33-21)16-9-11-18(12-10-16)29(31)32/h1-12,25H,13-14,24H2,(H,26,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC8 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50082206
PNG
(CHEMBL3421737)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNCc2nc(no2)-c2ccccc2)cc1
Show InChI InChI=1S/C23H21N5O2/c24-19-8-4-5-9-20(19)26-23(29)18-12-10-16(11-13-18)14-25-15-21-27-22(28-30-21)17-6-2-1-3-7-17/h1-13,25H,14-15,24H2,(H,26,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC8 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50082208
PNG
(CHEMBL3421739)
Show SMILES COc1ccc(cc1)-c1noc(CNCc2ccc(cc2)C(=O)Nc2ccccc2N)n1
Show InChI InChI=1S/C24H23N5O3/c1-31-19-12-10-17(11-13-19)23-28-22(32-29-23)15-26-14-16-6-8-18(9-7-16)24(30)27-21-5-3-2-4-20(21)25/h2-13,26H,14-15,25H2,1H3,(H,27,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC8 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50082207
PNG
(CHEMBL3421738)
Show SMILES Cc1ccc(cc1)-c1noc(CNCc2ccc(cc2)C(=O)Nc2ccccc2N)n1
Show InChI InChI=1S/C24H23N5O2/c1-16-6-10-18(11-7-16)23-28-22(31-29-23)15-26-14-17-8-12-19(13-9-17)24(30)27-21-5-3-2-4-20(21)25/h2-13,26H,14-15,25H2,1H3,(H,27,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC8 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50082269
PNG
(CHEMBL3421754)
Show SMILES ONC(=O)c1ccc(CNCc2nc(no2)-c2cccs2)cc1
Show InChI InChI=1S/C15H14N4O3S/c20-15(18-21)11-5-3-10(4-6-11)8-16-9-13-17-14(19-22-13)12-2-1-7-23-12/h1-7,16,21H,8-9H2,(H,18,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50082263
PNG
(CHEMBL3421748)
Show SMILES Cc1ccc(cc1)-c1noc(CNCc2ccc(cc2)C(=O)NO)n1
Show InChI InChI=1S/C18H18N4O3/c1-12-2-6-14(7-3-12)17-20-16(25-22-17)11-19-10-13-4-8-15(9-5-13)18(23)21-24/h2-9,19,24H,10-11H2,1H3,(H,21,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release a...

Eur J Med Chem 96: 1-13 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.002
BindingDB Entry DOI: 10.7270/Q21G0P01
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%