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PubMed code 26287310

Compile data set for download or QSAR
Found 87 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 3/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM50113971
PNG
(CHEMBL3605506)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H]([C@@H](O2)c2ccccc2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C29H26N4O2/c30-24-13-7-8-14-25(24)32-28(34)23-17-15-20(16-18-23)19-31-29-33-26(21-9-3-1-4-10-21)27(35-29)22-11-5-2-6-12-22/h1-18,26-27H,19,30H2,(H,31,33)(H,32,34)/t26-,27+/s2
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n/an/a 6n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM50113963
PNG
(CHEMBL3605502)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC[C@H](O2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C23H22N4O2/c24-19-8-4-5-9-20(19)27-22(28)18-12-10-16(11-13-18)14-25-23-26-15-21(29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,26)(H,27,28)/t21-/s2
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n/an/a 11n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM50113960
PNG
(CHEMBL3605415)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H](CN2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C23H23N5O/c24-19-8-4-5-9-20(19)27-22(29)18-12-10-16(11-13-18)14-25-23-26-15-21(28-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,27,29)(H2,25,26,28)/t21-/s2
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n/an/a 15n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM50113964
PNG
(CHEMBL3605508)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H](Cc3c[nH]cn3)CO2)cc1 |r,t:17|
Show InChI InChI=1/C21H22N6O2/c22-18-3-1-2-4-19(18)27-20(28)15-7-5-14(6-8-15)10-24-21-26-17(12-29-21)9-16-11-23-13-25-16/h1-8,11,13,17H,9-10,12,22H2,(H,23,25)(H,24,26)(H,27,28)/t17-/s2
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n/an/a 18n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM50113969
PNG
(CHEMBL3605499)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H](CO2)c2ccc(O)cc2)cc1 |r,t:17|
Show InChI InChI=1/C23H22N4O3/c24-19-3-1-2-4-20(19)26-22(29)17-7-5-15(6-8-17)13-25-23-27-21(14-30-23)16-9-11-18(28)12-10-16/h1-12,21,28H,13-14,24H2,(H,25,27)(H,26,29)/t21-/s2
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n/an/a 18n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM50113954
PNG
(CHEMBL3605507)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H](Cc3c[nH]cn3)CO2)cc1 |r,t:17|
Show InChI InChI=1/C21H22N6O2/c22-18-3-1-2-4-19(18)27-20(28)15-7-5-14(6-8-15)10-24-21-26-17(12-29-21)9-16-11-23-13-25-16/h1-8,11,13,17H,9-10,12,22H2,(H,23,25)(H,24,26)(H,27,28)/t17-/s2
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n/an/a 21n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM24624
PNG
(CHEMBL272980 | MGCD-0103 | MGCD0103 | N-(2-aminoph...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)
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n/an/a 22n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant HDAC2 (1 to 488 residues) (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluo...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM50113967
PNG
(CHEMBL3605497)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC(CO2)c2cccc(F)c2)cc1 |t:17|
Show InChI InChI=1/C23H21FN4O2/c24-18-5-3-4-17(12-18)21-14-30-23(28-21)26-13-15-8-10-16(11-9-15)22(29)27-20-7-2-1-6-19(20)25/h1-12,21H,13-14,25H2,(H,26,28)(H,27,29)
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n/an/a 24n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM50113972
PNG
(CHEMBL3605500)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H](CO2)c2cccnc2)cc1 |r,t:17|
Show InChI InChI=1/C22H21N5O2/c23-18-5-1-2-6-19(18)26-21(28)16-9-7-15(8-10-16)12-25-22-27-20(14-29-22)17-4-3-11-24-13-17/h1-11,13,20H,12,14,23H2,(H,25,27)(H,26,28)/t20-/s2
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n/an/a 31n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM50113962
PNG
(CHEMBL3605495)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H](CO2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C23H22N4O2/c24-19-8-4-5-9-20(19)26-22(28)18-12-10-16(11-13-18)14-25-23-27-21(15-29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)(H,26,28)/t21-/s2
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n/an/a 33n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM50113966
PNG
(CHEMBL3605496)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC(CO2)c2ccc(F)cc2)cc1 |t:17|
Show InChI InChI=1/C23H21FN4O2/c24-18-11-9-16(10-12-18)21-14-30-23(28-21)26-13-15-5-7-17(8-6-15)22(29)27-20-4-2-1-3-19(20)25/h1-12,21H,13-14,25H2,(H,26,28)(H,27,29)
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n/an/a 34n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM50113968
PNG
(CHEMBL3605498)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC(CO2)c2ccc(cc2)C(F)(F)F)cc1 |t:17|
Show InChI InChI=1/C24H21F3N4O2/c25-24(26,27)18-11-9-16(10-12-18)21-14-33-23(31-21)29-13-15-5-7-17(8-6-15)22(32)30-20-4-2-1-3-19(20)28/h1-12,21H,13-14,28H2,(H,29,31)(H,30,32)
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n/an/a 34n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM50113953
PNG
(CHEMBL3605503)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC[C@@H](O2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C23H22N4O2/c24-19-8-4-5-9-20(19)27-22(28)18-12-10-16(11-13-18)14-25-23-26-15-21(29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,26)(H,27,28)/t21-/s2
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n/an/a 35n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM50113959
PNG
(CHEMBL3605416)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@H](CN2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C23H22N4OS/c24-19-8-4-5-9-20(19)26-22(28)18-12-10-16(11-13-18)15-29-23-25-14-21(27-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)(H,26,28)/t21-/s2
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n/an/a 38n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM50113965
PNG
(CHEMBL3605494)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H](CO2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C23H22N4O2/c24-19-8-4-5-9-20(19)26-22(28)18-12-10-16(11-13-18)14-25-23-27-21(15-29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)(H,26,28)/t21-/s2
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n/an/a 40n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM50113958
PNG
(CHEMBL3605501)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H](Cc3ccccc3)CO2)cc1 |r,t:17|
Show InChI InChI=1/C24H24N4O2/c25-21-8-4-5-9-22(21)28-23(29)19-12-10-18(11-13-19)15-26-24-27-20(16-30-24)14-17-6-2-1-3-7-17/h1-13,20H,14-16,25H2,(H,26,27)(H,28,29)/t20-/s2
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n/an/a 41n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM24624
PNG
(CHEMBL272980 | MGCD-0103 | MGCD0103 | N-(2-aminoph...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)
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n/an/a 45n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM50113970
PNG
(CHEMBL3605504)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC(CO2)(c2ccccc2)c2ccccc2)cc1 |t:17|
Show InChI InChI=1S/C29H26N4O2/c30-25-13-7-8-14-26(25)32-27(34)22-17-15-21(16-18-22)19-31-28-33-29(20-35-28,23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-18H,19-20,30H2,(H,31,33)(H,32,34)
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n/an/a 55n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM50113957
PNG
(CHEMBL3605492)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@H](CO2)c2cccnc2)cc1 |r,t:17|
Show InChI InChI=1/C22H20N4O2S/c23-18-5-1-2-6-19(18)25-21(27)16-9-7-15(8-10-16)14-29-22-26-20(13-28-22)17-4-3-11-24-12-17/h1-12,20H,13-14,23H2,(H,25,27)/t20-/s2
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n/an/a 56n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM50113956
PNG
(CHEMBL3605417)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@H](CO2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C23H21N3O2S/c24-19-8-4-5-9-20(19)25-22(27)18-12-10-16(11-13-18)15-29-23-26-21(14-28-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)/t21-/s2
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n/an/a 66n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM50113955
PNG
(CHEMBL3605493)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@@H](Cc3ccccc3)CO2)cc1 |r,t:17|
Show InChI InChI=1/C24H23N3O2S/c25-21-8-4-5-9-22(21)27-23(28)19-12-10-18(11-13-19)16-30-24-26-20(15-29-24)14-17-6-2-1-3-7-17/h1-13,20H,14-16,25H2,(H,27,28)/t20-/s2
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n/an/a 71n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50113963
PNG
(CHEMBL3605502)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC[C@H](O2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C23H22N4O2/c24-19-8-4-5-9-20(19)27-22(28)18-12-10-16(11-13-18)14-25-23-26-15-21(29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,26)(H,27,28)/t21-/s2
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n/an/a 76n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of C-flagged recombinant HDAC1 (unknown origin) pre-incubated for 1 hr before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50113954
PNG
(CHEMBL3605507)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H](Cc3c[nH]cn3)CO2)cc1 |r,t:17|
Show InChI InChI=1/C21H22N6O2/c22-18-3-1-2-4-19(18)27-20(28)15-7-5-14(6-8-15)10-24-21-26-17(12-29-21)9-16-11-23-13-25-16/h1-8,11,13,17H,9-10,12,22H2,(H,23,25)(H,24,26)(H,27,28)/t17-/s2
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n/an/a 78n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of C-flagged recombinant HDAC1 (unknown origin) pre-incubated for 1 hr before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50113971
PNG
(CHEMBL3605506)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H]([C@@H](O2)c2ccccc2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C29H26N4O2/c30-24-13-7-8-14-25(24)32-28(34)23-17-15-20(16-18-23)19-31-29-33-26(21-9-3-1-4-10-21)27(35-29)22-11-5-2-6-12-22/h1-18,26-27H,19,30H2,(H,31,33)(H,32,34)/t26-,27+/s2
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n/an/a 80n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of C-flagged recombinant HDAC1 (unknown origin) pre-incubated for 1 hr before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50113962
PNG
(CHEMBL3605495)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H](CO2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C23H22N4O2/c24-19-8-4-5-9-20(19)26-22(28)18-12-10-16(11-13-18)14-25-23-27-21(15-29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)(H,26,28)/t21-/s2
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n/an/a 82n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of C-flagged recombinant HDAC1 (unknown origin) pre-incubated for 1 hr before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50113953
PNG
(CHEMBL3605503)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC[C@@H](O2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C23H22N4O2/c24-19-8-4-5-9-20(19)27-22(28)18-12-10-16(11-13-18)14-25-23-26-15-21(29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,26)(H,27,28)/t21-/s2
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n/an/a 94n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant HDAC2 (1 to 488 residues) (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluo...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM24624
PNG
(CHEMBL272980 | MGCD-0103 | MGCD0103 | N-(2-aminoph...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)
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n/an/a 98n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of C-flagged recombinant HDAC1 (unknown origin) pre-incubated for 1 hr before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50113971
PNG
(CHEMBL3605506)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H]([C@@H](O2)c2ccccc2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C29H26N4O2/c30-24-13-7-8-14-25(24)32-28(34)23-17-15-20(16-18-23)19-31-29-33-26(21-9-3-1-4-10-21)27(35-29)22-11-5-2-6-12-22/h1-18,26-27H,19,30H2,(H,31,33)(H,32,34)/t26-,27+/s2
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n/an/a 110n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant HDAC2 (1 to 488 residues) (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluo...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM50113961
PNG
(CHEMBL3605505)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H]([C@@H](O2)c2ccccc2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C29H26N4O2/c30-24-13-7-8-14-25(24)32-28(34)23-17-15-20(16-18-23)19-31-29-33-26(21-9-3-1-4-10-21)27(35-29)22-11-5-2-6-12-22/h1-18,26-27H,19,30H2,(H,31,33)(H,32,34)/t26-,27-/s2
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n/an/a 120n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50113958
PNG
(CHEMBL3605501)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H](Cc3ccccc3)CO2)cc1 |r,t:17|
Show InChI InChI=1/C24H24N4O2/c25-21-8-4-5-9-22(21)28-23(29)19-12-10-18(11-13-19)15-26-24-27-20(16-30-24)14-17-6-2-1-3-7-17/h1-13,20H,14-16,25H2,(H,26,27)(H,28,29)/t20-/s2
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n/an/a 130n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant HDAC2 (1 to 488 residues) (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluo...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50113964
PNG
(CHEMBL3605508)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H](Cc3c[nH]cn3)CO2)cc1 |r,t:17|
Show InChI InChI=1/C21H22N6O2/c22-18-3-1-2-4-19(18)27-20(28)15-7-5-14(6-8-15)10-24-21-26-17(12-29-21)9-16-11-23-13-25-16/h1-8,11,13,17H,9-10,12,22H2,(H,23,25)(H,24,26)(H,27,28)/t17-/s2
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n/an/a 130n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of C-flagged recombinant HDAC1 (unknown origin) pre-incubated for 1 hr before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50113966
PNG
(CHEMBL3605496)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC(CO2)c2ccc(F)cc2)cc1 |t:17|
Show InChI InChI=1/C23H21FN4O2/c24-18-11-9-16(10-12-18)21-14-30-23(28-21)26-13-15-5-7-17(8-6-15)22(29)27-20-4-2-1-3-19(20)25/h1-12,21H,13-14,25H2,(H,26,28)(H,27,29)
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n/an/a 150n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant HDAC2 (1 to 488 residues) (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluo...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50113954
PNG
(CHEMBL3605507)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H](Cc3c[nH]cn3)CO2)cc1 |r,t:17|
Show InChI InChI=1/C21H22N6O2/c22-18-3-1-2-4-19(18)27-20(28)15-7-5-14(6-8-15)10-24-21-26-17(12-29-21)9-16-11-23-13-25-16/h1-8,11,13,17H,9-10,12,22H2,(H,23,25)(H,24,26)(H,27,28)/t17-/s2
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n/an/a 160n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant HDAC2 (1 to 488 residues) (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluo...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50113962
PNG
(CHEMBL3605495)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H](CO2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C23H22N4O2/c24-19-8-4-5-9-20(19)26-22(28)18-12-10-16(11-13-18)14-25-23-27-21(15-29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)(H,26,28)/t21-/s2
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n/an/a 180n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant HDAC2 (1 to 488 residues) (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluo...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50113965
PNG
(CHEMBL3605494)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H](CO2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C23H22N4O2/c24-19-8-4-5-9-20(19)26-22(28)18-12-10-16(11-13-18)14-25-23-27-21(15-29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)(H,26,28)/t21-/s2
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n/an/a 180n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant HDAC2 (1 to 488 residues) (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluo...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50113959
PNG
(CHEMBL3605416)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@H](CN2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C23H22N4OS/c24-19-8-4-5-9-20(19)26-22(28)18-12-10-16(11-13-18)15-29-23-25-14-21(27-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)(H,26,28)/t21-/s2
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n/an/a 180n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant HDAC2 (1 to 488 residues) (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluo...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50113966
PNG
(CHEMBL3605496)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC(CO2)c2ccc(F)cc2)cc1 |t:17|
Show InChI InChI=1/C23H21FN4O2/c24-18-11-9-16(10-12-18)21-14-30-23(28-21)26-13-15-5-7-17(8-6-15)22(29)27-20-4-2-1-3-19(20)25/h1-12,21H,13-14,25H2,(H,26,28)(H,27,29)
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n/an/a 190n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of C-flagged recombinant HDAC1 (unknown origin) pre-incubated for 1 hr before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50113963
PNG
(CHEMBL3605502)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC[C@H](O2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C23H22N4O2/c24-19-8-4-5-9-20(19)27-22(28)18-12-10-16(11-13-18)14-25-23-26-15-21(29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,26)(H,27,28)/t21-/s2
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n/an/a 192n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant HDAC2 (1 to 488 residues) (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluo...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50113958
PNG
(CHEMBL3605501)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H](Cc3ccccc3)CO2)cc1 |r,t:17|
Show InChI InChI=1/C24H24N4O2/c25-21-8-4-5-9-22(21)28-23(29)19-12-10-18(11-13-19)15-26-24-27-20(16-30-24)14-17-6-2-1-3-7-17/h1-13,20H,14-16,25H2,(H,26,27)(H,28,29)/t20-/s2
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University College London

Curated by ChEMBL


Assay Description
Inhibition of C-flagged recombinant HDAC1 (unknown origin) pre-incubated for 1 hr before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50113969
PNG
(CHEMBL3605499)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H](CO2)c2ccc(O)cc2)cc1 |r,t:17|
Show InChI InChI=1/C23H22N4O3/c24-19-3-1-2-4-20(19)26-22(29)17-7-5-15(6-8-17)13-25-23-27-21(14-30-23)16-9-11-18(28)12-10-16/h1-12,21,28H,13-14,24H2,(H,25,27)(H,26,29)/t21-/s2
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University College London

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant HDAC2 (1 to 488 residues) (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluo...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50113967
PNG
(CHEMBL3605497)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC(CO2)c2cccc(F)c2)cc1 |t:17|
Show InChI InChI=1/C23H21FN4O2/c24-18-5-3-4-17(12-18)21-14-30-23(28-21)26-13-15-8-10-16(11-9-15)22(29)27-20-7-2-1-6-19(20)25/h1-12,21H,13-14,25H2,(H,26,28)(H,27,29)
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n/an/a 240n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant HDAC2 (1 to 488 residues) (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluo...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50113960
PNG
(CHEMBL3605415)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H](CN2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C23H23N5O/c24-19-8-4-5-9-20(19)27-22(29)18-12-10-16(11-13-18)14-25-23-26-15-21(28-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,27,29)(H2,25,26,28)/t21-/s2
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n/an/a 240n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of C-flagged recombinant HDAC1 (unknown origin) pre-incubated for 1 hr before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50113967
PNG
(CHEMBL3605497)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC(CO2)c2cccc(F)c2)cc1 |t:17|
Show InChI InChI=1/C23H21FN4O2/c24-18-5-3-4-17(12-18)21-14-30-23(28-21)26-13-15-8-10-16(11-9-15)22(29)27-20-7-2-1-6-19(20)25/h1-12,21H,13-14,25H2,(H,26,28)(H,27,29)
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n/an/a 240n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of C-flagged recombinant HDAC1 (unknown origin) pre-incubated for 1 hr before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50113955
PNG
(CHEMBL3605493)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@@H](Cc3ccccc3)CO2)cc1 |r,t:17|
Show InChI InChI=1/C24H23N3O2S/c25-21-8-4-5-9-22(21)27-23(28)19-12-10-18(11-13-19)16-30-24-26-20(15-29-24)14-17-6-2-1-3-7-17/h1-13,20H,14-16,25H2,(H,27,28)/t20-/s2
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n/an/a 250n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant HDAC2 (1 to 488 residues) (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluo...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50113972
PNG
(CHEMBL3605500)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H](CO2)c2cccnc2)cc1 |r,t:17|
Show InChI InChI=1/C22H21N5O2/c23-18-5-1-2-6-19(18)26-21(28)16-9-7-15(8-10-16)12-25-22-27-20(14-29-22)17-4-3-11-24-13-17/h1-11,13,20H,12,14,23H2,(H,25,27)(H,26,28)/t20-/s2
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n/an/a 260n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of C-flagged recombinant HDAC1 (unknown origin) pre-incubated for 1 hr before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50113960
PNG
(CHEMBL3605415)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H](CN2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C23H23N5O/c24-19-8-4-5-9-20(19)27-22(29)18-12-10-16(11-13-18)14-25-23-26-15-21(28-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,27,29)(H2,25,26,28)/t21-/s2
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n/an/a 270n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant HDAC2 (1 to 488 residues) (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluo...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50113961
PNG
(CHEMBL3605505)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H]([C@@H](O2)c2ccccc2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C29H26N4O2/c30-24-13-7-8-14-25(24)32-28(34)23-17-15-20(16-18-23)19-31-29-33-26(21-9-3-1-4-10-21)27(35-29)22-11-5-2-6-12-22/h1-18,26-27H,19,30H2,(H,31,33)(H,32,34)/t26-,27-/s2
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n/an/a 280n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant HDAC2 (1 to 488 residues) (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluo...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50113964
PNG
(CHEMBL3605508)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H](Cc3c[nH]cn3)CO2)cc1 |r,t:17|
Show InChI InChI=1/C21H22N6O2/c22-18-3-1-2-4-19(18)27-20(28)15-7-5-14(6-8-15)10-24-21-26-17(12-29-21)9-16-11-23-13-25-16/h1-8,11,13,17H,9-10,12,22H2,(H,23,25)(H,24,26)(H,27,28)/t17-/s2
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n/an/a 290n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant HDAC2 (1 to 488 residues) (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluo...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50113969
PNG
(CHEMBL3605499)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H](CO2)c2ccc(O)cc2)cc1 |r,t:17|
Show InChI InChI=1/C23H22N4O3/c24-19-3-1-2-4-20(19)26-22(29)17-7-5-15(6-8-17)13-25-23-27-21(14-30-23)16-9-11-18(28)12-10-16/h1-12,21,28H,13-14,24H2,(H,25,27)(H,26,29)/t21-/s2
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n/an/a 290n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of C-flagged recombinant HDAC1 (unknown origin) pre-incubated for 1 hr before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50113968
PNG
(CHEMBL3605498)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC(CO2)c2ccc(cc2)C(F)(F)F)cc1 |t:17|
Show InChI InChI=1/C24H21F3N4O2/c25-24(26,27)18-11-9-16(10-12-18)21-14-33-23(31-21)29-13-15-5-7-17(8-6-15)22(32)30-20-4-2-1-3-19(20)28/h1-12,21H,13-14,28H2,(H,29,31)(H,30,32)
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n/an/a 340n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant HDAC2 (1 to 488 residues) (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluo...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50113956
PNG
(CHEMBL3605417)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@H](CO2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C23H21N3O2S/c24-19-8-4-5-9-20(19)25-22(27)18-12-10-16(11-13-18)15-29-23-26-21(14-28-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)/t21-/s2
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n/an/a 360n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant HDAC2 (1 to 488 residues) (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluo...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50113959
PNG
(CHEMBL3605416)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@H](CN2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C23H22N4OS/c24-19-8-4-5-9-20(19)26-22(28)18-12-10-16(11-13-18)15-29-23-25-14-21(27-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)(H,26,28)/t21-/s2
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n/an/a 380n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of C-flagged recombinant HDAC1 (unknown origin) pre-incubated for 1 hr before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50113953
PNG
(CHEMBL3605503)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC[C@@H](O2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C23H22N4O2/c24-19-8-4-5-9-20(19)27-22(28)18-12-10-16(11-13-18)14-25-23-26-15-21(29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,26)(H,27,28)/t21-/s2
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n/an/a 390n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of C-flagged recombinant HDAC1 (unknown origin) pre-incubated for 1 hr before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50113970
PNG
(CHEMBL3605504)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC(CO2)(c2ccccc2)c2ccccc2)cc1 |t:17|
Show InChI InChI=1S/C29H26N4O2/c30-25-13-7-8-14-26(25)32-27(34)22-17-15-21(16-18-22)19-31-28-33-29(20-35-28,23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-18H,19-20,30H2,(H,31,33)(H,32,34)
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n/an/a 400n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant HDAC2 (1 to 488 residues) (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluo...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50113972
PNG
(CHEMBL3605500)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H](CO2)c2cccnc2)cc1 |r,t:17|
Show InChI InChI=1/C22H21N5O2/c23-18-5-1-2-6-19(18)26-21(28)16-9-7-15(8-10-16)12-25-22-27-20(14-29-22)17-4-3-11-24-13-17/h1-11,13,20H,12,14,23H2,(H,25,27)(H,26,28)/t20-/s2
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n/an/a 430n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant HDAC2 (1 to 488 residues) (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluo...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50113965
PNG
(CHEMBL3605494)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H](CO2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C23H22N4O2/c24-19-8-4-5-9-20(19)26-22(28)18-12-10-16(11-13-18)14-25-23-27-21(15-29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)(H,26,28)/t21-/s2
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n/an/a 530n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of C-flagged recombinant HDAC1 (unknown origin) pre-incubated for 1 hr before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50113957
PNG
(CHEMBL3605492)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@H](CO2)c2cccnc2)cc1 |r,t:17|
Show InChI InChI=1/C22H20N4O2S/c23-18-5-1-2-6-19(18)25-21(27)16-9-7-15(8-10-16)14-29-22-26-20(13-28-22)17-4-3-11-24-12-17/h1-12,20H,13-14,23H2,(H,25,27)/t20-/s2
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n/an/a 610n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-tagged recombinant HDAC2 (1 to 488 residues) (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluo...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50113955
PNG
(CHEMBL3605493)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@@H](Cc3ccccc3)CO2)cc1 |r,t:17|
Show InChI InChI=1/C24H23N3O2S/c25-21-8-4-5-9-22(21)27-23(28)19-12-10-18(11-13-19)16-30-24-26-20(15-29-24)14-17-6-2-1-3-7-17/h1-13,20H,14-16,25H2,(H,27,28)/t20-/s2
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n/an/a 700n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of C-flagged recombinant HDAC1 (unknown origin) pre-incubated for 1 hr before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50113956
PNG
(CHEMBL3605417)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@H](CO2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C23H21N3O2S/c24-19-8-4-5-9-20(19)25-22(27)18-12-10-16(11-13-18)15-29-23-26-21(14-28-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)/t21-/s2
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n/an/a 1.20E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of C-flagged recombinant HDAC1 (unknown origin) pre-incubated for 1 hr before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50113960
PNG
(CHEMBL3605415)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H](CN2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C23H23N5O/c24-19-8-4-5-9-20(19)27-22(29)18-12-10-16(11-13-18)14-25-23-26-15-21(28-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,27,29)(H2,25,26,28)/t21-/s2
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n/an/a 5.50E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50113953
PNG
(CHEMBL3605503)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC[C@@H](O2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C23H22N4O2/c24-19-8-4-5-9-20(19)27-22(28)18-12-10-16(11-13-18)14-25-23-26-15-21(29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,26)(H,27,28)/t21-/s2
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n/an/a 8.10E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50113956
PNG
(CHEMBL3605417)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@H](CO2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C23H21N3O2S/c24-19-8-4-5-9-20(19)25-22(27)18-12-10-16(11-13-18)15-29-23-26-21(14-28-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)/t21-/s2
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n/an/a 9.50E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50113959
PNG
(CHEMBL3605416)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@H](CN2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C23H22N4OS/c24-19-8-4-5-9-20(19)26-22(28)18-12-10-16(11-13-18)15-29-23-25-14-21(27-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)(H,26,28)/t21-/s2
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n/an/a 1.43E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50113971
PNG
(CHEMBL3605506)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H]([C@@H](O2)c2ccccc2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C29H26N4O2/c30-24-13-7-8-14-25(24)32-28(34)23-17-15-20(16-18-23)19-31-29-33-26(21-9-3-1-4-10-21)27(35-29)22-11-5-2-6-12-22/h1-18,26-27H,19,30H2,(H,31,33)(H,32,34)/t26-,27+/s2
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n/an/a 2.52E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50113961
PNG
(CHEMBL3605505)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H]([C@@H](O2)c2ccccc2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C29H26N4O2/c30-24-13-7-8-14-25(24)32-28(34)23-17-15-20(16-18-23)19-31-29-33-26(21-9-3-1-4-10-21)27(35-29)22-11-5-2-6-12-22/h1-18,26-27H,19,30H2,(H,31,33)(H,32,34)/t26-,27-/s2
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n/an/a 2.92E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50113966
PNG
(CHEMBL3605496)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC(CO2)c2ccc(F)cc2)cc1 |t:17|
Show InChI InChI=1/C23H21FN4O2/c24-18-11-9-16(10-12-18)21-14-30-23(28-21)26-13-15-5-7-17(8-6-15)22(29)27-20-4-2-1-3-19(20)25/h1-12,21H,13-14,25H2,(H,26,28)(H,27,29)
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n/an/a 3.39E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM24624
PNG
(CHEMBL272980 | MGCD-0103 | MGCD0103 | N-(2-aminoph...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)
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n/an/a 3.50E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50113967
PNG
(CHEMBL3605497)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC(CO2)c2cccc(F)c2)cc1 |t:17|
Show InChI InChI=1/C23H21FN4O2/c24-18-5-3-4-17(12-18)21-14-30-23(28-21)26-13-15-8-10-16(11-9-15)22(29)27-20-7-2-1-6-19(20)25/h1-12,21H,13-14,25H2,(H,26,28)(H,27,29)
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n/an/a 5.22E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50113970
PNG
(CHEMBL3605504)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC(CO2)(c2ccccc2)c2ccccc2)cc1 |t:17|
Show InChI InChI=1S/C29H26N4O2/c30-25-13-7-8-14-26(25)32-27(34)22-17-15-21(16-18-22)19-31-28-33-29(20-35-28,23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-18H,19-20,30H2,(H,31,33)(H,32,34)
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n/an/a 5.35E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50113958
PNG
(CHEMBL3605501)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H](Cc3ccccc3)CO2)cc1 |r,t:17|
Show InChI InChI=1/C24H24N4O2/c25-21-8-4-5-9-22(21)28-23(29)19-12-10-18(11-13-19)15-26-24-27-20(16-30-24)14-17-6-2-1-3-7-17/h1-13,20H,14-16,25H2,(H,26,27)(H,28,29)/t20-/s2
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n/an/a 6.30E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50113962
PNG
(CHEMBL3605495)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H](CO2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C23H22N4O2/c24-19-8-4-5-9-20(19)26-22(28)18-12-10-16(11-13-18)14-25-23-27-21(15-29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)(H,26,28)/t21-/s2
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n/an/a 8.07E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50113968
PNG
(CHEMBL3605498)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC(CO2)c2ccc(cc2)C(F)(F)F)cc1 |t:17|
Show InChI InChI=1/C24H21F3N4O2/c25-24(26,27)18-11-9-16(10-12-18)21-14-33-23(31-21)29-13-15-5-7-17(8-6-15)22(32)30-20-4-2-1-3-19(20)28/h1-12,21H,13-14,28H2,(H,29,31)(H,30,32)
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n/an/a 8.21E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50113969
PNG
(CHEMBL3605499)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H](CO2)c2ccc(O)cc2)cc1 |r,t:17|
Show InChI InChI=1/C23H22N4O3/c24-19-3-1-2-4-20(19)26-22(29)17-7-5-15(6-8-17)13-25-23-27-21(14-30-23)16-9-11-18(28)12-10-16/h1-12,21,28H,13-14,24H2,(H,25,27)(H,26,29)/t21-/s2
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n/an/a 8.33E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50113955
PNG
(CHEMBL3605493)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@@H](Cc3ccccc3)CO2)cc1 |r,t:17|
Show InChI InChI=1/C24H23N3O2S/c25-21-8-4-5-9-22(21)27-23(28)19-12-10-18(11-13-19)16-30-24-26-20(15-29-24)14-17-6-2-1-3-7-17/h1-13,20H,14-16,25H2,(H,27,28)/t20-/s2
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n/an/a 8.80E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50113965
PNG
(CHEMBL3605494)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H](CO2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C23H22N4O2/c24-19-8-4-5-9-20(19)26-22(28)18-12-10-16(11-13-18)14-25-23-27-21(15-29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)(H,26,28)/t21-/s2
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n/an/a 8.80E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50113971
PNG
(CHEMBL3605506)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H]([C@@H](O2)c2ccccc2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C29H26N4O2/c30-24-13-7-8-14-25(24)32-28(34)23-17-15-20(16-18-23)19-31-29-33-26(21-9-3-1-4-10-21)27(35-29)22-11-5-2-6-12-22/h1-18,26-27H,19,30H2,(H,31,33)(H,32,34)/t26-,27+/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of HDAC5 (unknown origin)


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50113971
PNG
(CHEMBL3605506)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H]([C@@H](O2)c2ccccc2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C29H26N4O2/c30-24-13-7-8-14-25(24)32-28(34)23-17-15-20(16-18-23)19-31-29-33-26(21-9-3-1-4-10-21)27(35-29)22-11-5-2-6-12-22/h1-18,26-27H,19,30H2,(H,31,33)(H,32,34)/t26-,27+/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of HDAC4 (unknown origin)


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50113971
PNG
(CHEMBL3605506)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H]([C@@H](O2)c2ccccc2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C29H26N4O2/c30-24-13-7-8-14-25(24)32-28(34)23-17-15-20(16-18-23)19-31-29-33-26(21-9-3-1-4-10-21)27(35-29)22-11-5-2-6-12-22/h1-18,26-27H,19,30H2,(H,31,33)(H,32,34)/t26-,27+/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of HDAC10 (unknown origin)


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50113971
PNG
(CHEMBL3605506)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H]([C@@H](O2)c2ccccc2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C29H26N4O2/c30-24-13-7-8-14-25(24)32-28(34)23-17-15-20(16-18-23)19-31-29-33-26(21-9-3-1-4-10-21)27(35-29)22-11-5-2-6-12-22/h1-18,26-27H,19,30H2,(H,31,33)(H,32,34)/t26-,27+/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of HDAC7 (unknown origin)


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50113971
PNG
(CHEMBL3605506)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H]([C@@H](O2)c2ccccc2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C29H26N4O2/c30-24-13-7-8-14-25(24)32-28(34)23-17-15-20(16-18-23)19-31-29-33-26(21-9-3-1-4-10-21)27(35-29)22-11-5-2-6-12-22/h1-18,26-27H,19,30H2,(H,31,33)(H,32,34)/t26-,27+/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of HDAC11 (unknown origin)


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50113971
PNG
(CHEMBL3605506)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H]([C@@H](O2)c2ccccc2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C29H26N4O2/c30-24-13-7-8-14-25(24)32-28(34)23-17-15-20(16-18-23)19-31-29-33-26(21-9-3-1-4-10-21)27(35-29)22-11-5-2-6-12-22/h1-18,26-27H,19,30H2,(H,31,33)(H,32,34)/t26-,27+/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of HDAC9 (unknown origin)


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50113961
PNG
(CHEMBL3605505)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H]([C@@H](O2)c2ccccc2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C29H26N4O2/c30-24-13-7-8-14-25(24)32-28(34)23-17-15-20(16-18-23)19-31-29-33-26(21-9-3-1-4-10-21)27(35-29)22-11-5-2-6-12-22/h1-18,26-27H,19,30H2,(H,31,33)(H,32,34)/t26-,27-/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-flagged recombinant HDAC6 (unknown origin) pre-incubated for 1 hr before substrate addition by homogeneous fluorogenic HDAC assay


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50113972
PNG
(CHEMBL3605500)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H](CO2)c2cccnc2)cc1 |r,t:17|
Show InChI InChI=1/C22H21N5O2/c23-18-5-1-2-6-19(18)26-21(28)16-9-7-15(8-10-16)12-25-22-27-20(14-29-22)17-4-3-11-24-13-17/h1-11,13,20H,12,14,23H2,(H,25,27)(H,26,28)/t20-/s2
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n/an/a 1.11E+5n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50113957
PNG
(CHEMBL3605492)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@H](CO2)c2cccnc2)cc1 |r,t:17|
Show InChI InChI=1/C22H20N4O2S/c23-18-5-1-2-6-19(18)25-21(27)16-9-7-15(8-10-16)14-29-22-26-20(13-28-22)17-4-3-11-24-12-17/h1-12,20H,13-14,23H2,(H,25,27)/t20-/s2
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n/an/a 1.12E+5n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50113964
PNG
(CHEMBL3605508)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@H](Cc3c[nH]cn3)CO2)cc1 |r,t:17|
Show InChI InChI=1/C21H22N6O2/c22-18-3-1-2-4-19(18)27-20(28)15-7-5-14(6-8-15)10-24-21-26-17(12-29-21)9-16-11-23-13-25-16/h1-8,11,13,17H,9-10,12,22H2,(H,23,25)(H,24,26)(H,27,28)/t17-/s2
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n/an/a 1.13E+5n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50113963
PNG
(CHEMBL3605502)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC[C@H](O2)c2ccccc2)cc1 |r,t:17|
Show InChI InChI=1/C23H22N4O2/c24-19-8-4-5-9-20(19)27-22(28)18-12-10-16(11-13-18)14-25-23-26-15-21(29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,26)(H,27,28)/t21-/s2
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n/an/a 1.73E+5n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50113954
PNG
(CHEMBL3605507)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=N[C@@H](Cc3c[nH]cn3)CO2)cc1 |r,t:17|
Show InChI InChI=1/C21H22N6O2/c22-18-3-1-2-4-19(18)27-20(28)15-7-5-14(6-8-15)10-24-21-26-17(12-29-21)9-16-11-23-13-25-16/h1-8,11,13,17H,9-10,12,22H2,(H,23,25)(H,24,26)(H,27,28)/t17-/s2
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n/an/a 1.79E+5n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b...


J Med Chem 58: 6803-18 (2015)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%