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Compile Data Set for Download or QSAR

Found 145 hits with Last Name = 'fu' and Initial = 'wc'   
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 6


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 4.5n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using fluorogenic substrate by fluorescence assay


Eur J Med Chem 125: 1268-1278 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.033
BindingDB Entry DOI: 10.7270/Q2XD145D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 6.90n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using fluorogenic substrate by fluorescence assay


Eur J Med Chem 125: 1268-1278 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.033
BindingDB Entry DOI: 10.7270/Q2XD145D
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 6.90n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 using RHKK(Ac) as substrate


Eur J Med Chem 150: 667-677 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.006
BindingDB Entry DOI: 10.7270/Q2XW4NGM
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC3 using RHKK(Ac) as substrate


Eur J Med Chem 150: 667-677 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.006
BindingDB Entry DOI: 10.7270/Q2XW4NGM
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50446481
PNG
(CHEMBL3110004 | US10011611, TMP269 | US10722597, C...)
Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)
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n/an/a 19.4n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC9 using fluorogenic substrate by fluorescence assay


Eur J Med Chem 125: 1268-1278 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.033
BindingDB Entry DOI: 10.7270/Q2XD145D
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 20.5n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 using fluorogenic substrate by fluorescence assay


Eur J Med Chem 125: 1268-1278 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.033
BindingDB Entry DOI: 10.7270/Q2XD145D
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 37.5n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 using fluorogenic substrate by fluorescence assay


Eur J Med Chem 125: 1268-1278 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.033
BindingDB Entry DOI: 10.7270/Q2XD145D
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 38.1n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC10 using fluorogenic substrate by fluorescence assay


Eur J Med Chem 125: 1268-1278 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.033
BindingDB Entry DOI: 10.7270/Q2XD145D
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50462239
PNG
(CHEMBL4237454)
Show SMILES CC(C)c1cc(C(=O)N2CCc3cc(NC(=O)CCCCCC(=O)NO)ccc23)c(O)cc1O
Show InChI InChI=1S/C25H31N3O6/c1-15(2)18-13-19(22(30)14-21(18)29)25(33)28-11-10-16-12-17(8-9-20(16)28)26-23(31)6-4-3-5-7-24(32)27-34/h8-9,12-15,29-30,34H,3-7,10-11H2,1-2H3,(H,26,31)(H,27,32)
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n/an/a 40n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of FITC-geldanamycin binding to HSP90alpha (unknown origin) after 3 hrs by fluorescence polarization assay


Eur J Med Chem 150: 667-677 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.006
BindingDB Entry DOI: 10.7270/Q2XW4NGM
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50462237
PNG
(CHEMBL4241615)
Show SMILES CC(C)c1cc(C(=O)N2CCc3cc(NC(=O)CCCCCCC(=O)NO)ccc23)c(O)cc1O
Show InChI InChI=1S/C26H33N3O6/c1-16(2)19-14-20(23(31)15-22(19)30)26(34)29-12-11-17-13-18(9-10-21(17)29)27-24(32)7-5-3-4-6-8-25(33)28-35/h9-10,13-16,30-31,35H,3-8,11-12H2,1-2H3,(H,27,32)(H,28,33)
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n/an/a 46n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of FITC-geldanamycin binding to HSP90alpha (unknown origin) after 3 hrs by fluorescence polarization assay


Eur J Med Chem 150: 667-677 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.006
BindingDB Entry DOI: 10.7270/Q2XW4NGM
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50462240
PNG
(CHEMBL4249195)
Show SMILES CC(C)c1cc(C(=O)N2CCc3cc(NC(=O)CCC(=O)NO)ccc23)c(O)cc1O
Show InChI InChI=1S/C22H25N3O6/c1-12(2)15-10-16(19(27)11-18(15)26)22(30)25-8-7-13-9-14(3-4-17(13)25)23-20(28)5-6-21(29)24-31/h3-4,9-12,26-27,31H,5-8H2,1-2H3,(H,23,28)(H,24,29)
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n/an/a 49n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of FITC-geldanamycin binding to HSP90alpha (unknown origin) after 3 hrs by fluorescence polarization assay


Eur J Med Chem 150: 667-677 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.006
BindingDB Entry DOI: 10.7270/Q2XW4NGM
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50462238
PNG
(CHEMBL4247905)
Show SMILES CC(C)c1cc(C(=O)N2CCc3cc(NC(=O)CCCCCCCC(=O)NO)ccc23)c(O)cc1O
Show InChI InChI=1S/C27H35N3O6/c1-17(2)20-15-21(24(32)16-23(20)31)27(35)30-13-12-18-14-19(10-11-22(18)30)28-25(33)8-6-4-3-5-7-9-26(34)29-36/h10-11,14-17,31-32,36H,3-9,12-13H2,1-2H3,(H,28,33)(H,29,34)
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n/an/a 52n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of FITC-geldanamycin binding to HSP90alpha (unknown origin) after 3 hrs by fluorescence polarization assay


Eur J Med Chem 150: 667-677 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.006
BindingDB Entry DOI: 10.7270/Q2XW4NGM
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50462243
PNG
(CHEMBL4241177)
Show SMILES CC(C)c1cc(C(=O)N2CCc3cc(NC(=O)CCCC(=O)NO)ccc23)c(O)cc1O
Show InChI InChI=1S/C23H27N3O6/c1-13(2)16-11-17(20(28)12-19(16)27)23(31)26-9-8-14-10-15(6-7-18(14)26)24-21(29)4-3-5-22(30)25-32/h6-7,10-13,27-28,32H,3-5,8-9H2,1-2H3,(H,24,29)(H,25,30)
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n/an/a 56n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of FITC-geldanamycin binding to HSP90alpha (unknown origin) after 3 hrs by fluorescence polarization assay


Eur J Med Chem 150: 667-677 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.006
BindingDB Entry DOI: 10.7270/Q2XW4NGM
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50462236
PNG
(CHEMBL4237899)
Show SMILES CC(C)c1cc(C(=O)N2CCc3cc(NC(=O)CCCCCCCCC(=O)NO)ccc23)c(O)cc1O
Show InChI InChI=1S/C28H37N3O6/c1-18(2)21-16-22(25(33)17-24(21)32)28(36)31-14-13-19-15-20(11-12-23(19)31)29-26(34)9-7-5-3-4-6-8-10-27(35)30-37/h11-12,15-18,32-33,37H,3-10,13-14H2,1-2H3,(H,29,34)(H,30,35)
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n/an/a 59n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of FITC-geldanamycin binding to HSP90alpha (unknown origin) after 3 hrs by fluorescence polarization assay


Eur J Med Chem 150: 667-677 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.006
BindingDB Entry DOI: 10.7270/Q2XW4NGM
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50462237
PNG
(CHEMBL4241615)
Show SMILES CC(C)c1cc(C(=O)N2CCc3cc(NC(=O)CCCCCCC(=O)NO)ccc23)c(O)cc1O
Show InChI InChI=1S/C26H33N3O6/c1-16(2)19-14-20(23(31)15-22(19)30)26(34)29-12-11-17-13-18(9-10-21(17)29)27-24(32)7-5-3-4-6-8-25(33)28-35/h9-10,13-16,30-31,35H,3-8,11-12H2,1-2H3,(H,27,32)(H,28,33)
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n/an/a 61n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa nuclear extract using Ac-Lys(Ac)-pNA as substrate measured after 30 mins by fluorometric analysis


Eur J Med Chem 150: 667-677 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.006
BindingDB Entry DOI: 10.7270/Q2XW4NGM
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50259808
PNG
(CHEMBL4093691)
Show SMILES COc1ccc2c(cn(Cc3ccc(cc3)C(=O)NO)c2c1)C(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C27H26N2O7/c1-33-19-9-10-20-21(25(30)18-11-23(34-2)26(36-4)24(12-18)35-3)15-29(22(20)13-19)14-16-5-7-17(8-6-16)27(31)28-32/h5-13,15,32H,14H2,1-4H3,(H,28,31)
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n/an/a 65n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using fluorogenic substrate by fluorescence assay


Eur J Med Chem 125: 1268-1278 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.033
BindingDB Entry DOI: 10.7270/Q2XD145D
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM20800
PNG
(2-amino-6-halopurine analogue, 20 | 6-chloro-9-[(4...)
Show SMILES COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C
Show InChI InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)
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n/an/a 66n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of FITC-geldanamycin binding to HSP90alpha (unknown origin) after 3 hrs by fluorescence polarization assay


Eur J Med Chem 150: 667-677 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.006
BindingDB Entry DOI: 10.7270/Q2XW4NGM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50259809
PNG
(CHEMBL4070232)
Show SMILES COc1ccc2c(cn(Cc3ccc(\C=C\C(=O)NO)cc3)c2c1)C(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C29H28N2O7/c1-35-21-10-11-22-23(28(33)20-13-25(36-2)29(38-4)26(14-20)37-3)17-31(24(22)15-21)16-19-7-5-18(6-8-19)9-12-27(32)30-34/h5-15,17,34H,16H2,1-4H3,(H,30,32)/b12-9+
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n/an/a 70n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using fluorogenic substrate by fluorescence assay


Eur J Med Chem 125: 1268-1278 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.033
BindingDB Entry DOI: 10.7270/Q2XD145D
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 72n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using fluorogenic substrate by fluorescence assay


Eur J Med Chem 125: 1268-1278 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.033
BindingDB Entry DOI: 10.7270/Q2XD145D
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50462241
PNG
(CHEMBL4245766)
Show SMILES CC(C)c1cc(C(=O)N2CCc3cc(NCc4ccc(cc4)C(=O)NO)ccc23)c(O)cc1O
Show InChI InChI=1S/C26H27N3O5/c1-15(2)20-12-21(24(31)13-23(20)30)26(33)29-10-9-18-11-19(7-8-22(18)29)27-14-16-3-5-17(6-4-16)25(32)28-34/h3-8,11-13,15,27,30-31,34H,9-10,14H2,1-2H3,(H,28,32)
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n/an/a 86n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of FITC-geldanamycin binding to HSP90alpha (unknown origin) after 3 hrs by fluorescence polarization assay


Eur J Med Chem 150: 667-677 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.006
BindingDB Entry DOI: 10.7270/Q2XW4NGM
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50462239
PNG
(CHEMBL4237454)
Show SMILES CC(C)c1cc(C(=O)N2CCc3cc(NC(=O)CCCCCC(=O)NO)ccc23)c(O)cc1O
Show InChI InChI=1S/C25H31N3O6/c1-15(2)18-13-19(22(30)14-21(18)29)25(33)28-11-10-16-12-17(8-9-20(16)28)26-23(31)6-4-3-5-7-24(32)27-34/h8-9,12-15,29-30,34H,3-7,10-11H2,1-2H3,(H,26,31)(H,27,32)
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n/an/a 87n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa nuclear extract using Ac-Lys(Ac)-pNA as substrate measured after 30 mins by fluorometric analysis


Eur J Med Chem 150: 667-677 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.006
BindingDB Entry DOI: 10.7270/Q2XW4NGM
More data for this
Ligand-Target Pair
Histone deacetylase


(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 99n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa nuclear extract using Ac-Lys(Ac)-pNA as substrate measured after 30 mins by fluorometric analysis


Eur J Med Chem 150: 667-677 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.006
BindingDB Entry DOI: 10.7270/Q2XW4NGM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 102n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using fluorogenic substrate by fluorescence assay


Eur J Med Chem 125: 1268-1278 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.033
BindingDB Entry DOI: 10.7270/Q2XD145D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase


(Homo sapiens (Human))
BDBM50462236
PNG
(CHEMBL4237899)
Show SMILES CC(C)c1cc(C(=O)N2CCc3cc(NC(=O)CCCCCCCCC(=O)NO)ccc23)c(O)cc1O
Show InChI InChI=1S/C28H37N3O6/c1-18(2)21-16-22(25(33)17-24(21)32)28(36)31-14-13-19-15-20(11-12-23(19)31)29-26(34)9-7-5-3-4-6-8-10-27(35)30-37/h11-12,15-18,32-33,37H,3-10,13-14H2,1-2H3,(H,29,34)(H,30,35)
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n/an/a 105n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa nuclear extract using Ac-Lys(Ac)-pNA as substrate measured after 30 mins by fluorometric analysis


Eur J Med Chem 150: 667-677 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.006
BindingDB Entry DOI: 10.7270/Q2XW4NGM
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50259811
PNG
(CHEMBL4066975)
Show SMILES COc1ccc(cc1)C(=O)c1cn(Cc2ccc(cc2)C(=O)NO)c2cc(OC)ccc12
Show InChI InChI=1S/C25H22N2O5/c1-31-19-9-7-17(8-10-19)24(28)22-15-27(23-13-20(32-2)11-12-21(22)23)14-16-3-5-18(6-4-16)25(29)26-30/h3-13,15,30H,14H2,1-2H3,(H,26,29)
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n/an/a 108n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using fluorogenic substrate by fluorescence assay


Eur J Med Chem 125: 1268-1278 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.033
BindingDB Entry DOI: 10.7270/Q2XD145D
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50446481
PNG
(CHEMBL3110004 | US10011611, TMP269 | US10722597, C...)
Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)
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n/an/a 112n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC7 using fluorogenic substrate by fluorescence assay


Eur J Med Chem 125: 1268-1278 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.033
BindingDB Entry DOI: 10.7270/Q2XD145D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50446481
PNG
(CHEMBL3110004 | US10011611, TMP269 | US10722597, C...)
Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)
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n/an/a 127n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC4 using fluorogenic substrate by fluorescence assay


Eur J Med Chem 125: 1268-1278 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.033
BindingDB Entry DOI: 10.7270/Q2XD145D
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50462237
PNG
(CHEMBL4241615)
Show SMILES CC(C)c1cc(C(=O)N2CCc3cc(NC(=O)CCCCCCC(=O)NO)ccc23)c(O)cc1O
Show InChI InChI=1S/C26H33N3O6/c1-16(2)19-14-20(23(31)15-22(19)30)26(34)29-12-11-17-13-18(9-10-21(17)29)27-24(32)7-5-3-4-6-8-25(33)28-35/h9-10,13-16,30-31,35H,3-8,11-12H2,1-2H3,(H,27,32)(H,28,33)
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n/an/a 130n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 using RHKK(Ac) as substrate


Eur J Med Chem 150: 667-677 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.006
BindingDB Entry DOI: 10.7270/Q2XW4NGM
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50259809
PNG
(CHEMBL4070232)
Show SMILES COc1ccc2c(cn(Cc3ccc(\C=C\C(=O)NO)cc3)c2c1)C(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C29H28N2O7/c1-35-21-10-11-22-23(28(33)20-13-25(36-2)29(38-4)26(14-20)37-3)17-31(24(22)15-21)16-19-7-5-18(6-8-19)9-12-27(32)30-34/h5-15,17,34H,16H2,1-4H3,(H,30,32)/b12-9+
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n/an/a 130n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using fluorogenic substrate by fluorescence assay


Eur J Med Chem 125: 1268-1278 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.033
BindingDB Entry DOI: 10.7270/Q2XD145D
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50259810
PNG
(CHEMBL4098353)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1cn(Cc2ccc(\C=C\C(=O)NO)cc2)c2ccccc12
Show InChI InChI=1S/C28H26N2O6/c1-34-24-14-20(15-25(35-2)28(24)36-3)27(32)22-17-30(23-7-5-4-6-21(22)23)16-19-10-8-18(9-11-19)12-13-26(31)29-33/h4-15,17,33H,16H2,1-3H3,(H,29,31)/b13-12+
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n/an/a 138n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using fluorogenic substrate by fluorescence assay


Eur J Med Chem 125: 1268-1278 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.033
BindingDB Entry DOI: 10.7270/Q2XD145D
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50259813
PNG
(CHEMBL4072479)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C27H24N2O8S/c1-35-23-14-18(15-24(36-2)27(23)37-3)26(31)21-16-29(22-10-5-4-9-20(21)22)38(33,34)19-8-6-7-17(13-19)11-12-25(30)28-32/h4-16,32H,1-3H3,(H,28,30)/b12-11+
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n/an/a 139n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using fluorogenic substrate by fluorescence assay


Eur J Med Chem 125: 1268-1278 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.033
BindingDB Entry DOI: 10.7270/Q2XD145D
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50259810
PNG
(CHEMBL4098353)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1cn(Cc2ccc(\C=C\C(=O)NO)cc2)c2ccccc12
Show InChI InChI=1S/C28H26N2O6/c1-34-24-14-20(15-25(35-2)28(24)36-3)27(32)22-17-30(23-7-5-4-6-21(22)23)16-19-10-8-18(9-11-19)12-13-26(31)29-33/h4-15,17,33H,16H2,1-3H3,(H,29,31)/b13-12+
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n/an/a 141n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using fluorogenic substrate by fluorescence assay


Eur J Med Chem 125: 1268-1278 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.033
BindingDB Entry DOI: 10.7270/Q2XD145D
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50259811
PNG
(CHEMBL4066975)
Show SMILES COc1ccc(cc1)C(=O)c1cn(Cc2ccc(cc2)C(=O)NO)c2cc(OC)ccc12
Show InChI InChI=1S/C25H22N2O5/c1-31-19-9-7-17(8-10-19)24(28)22-15-27(23-13-20(32-2)11-12-21(22)23)14-16-3-5-18(6-4-16)25(29)26-30/h3-13,15,30H,14H2,1-2H3,(H,26,29)
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n/an/a 158n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using fluorogenic substrate by fluorescence assay


Eur J Med Chem 125: 1268-1278 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.033
BindingDB Entry DOI: 10.7270/Q2XD145D
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50462237
PNG
(CHEMBL4241615)
Show SMILES CC(C)c1cc(C(=O)N2CCc3cc(NC(=O)CCCCCCC(=O)NO)ccc23)c(O)cc1O
Show InChI InChI=1S/C26H33N3O6/c1-16(2)19-14-20(23(31)15-22(19)30)26(34)29-12-11-17-13-18(9-10-21(17)29)27-24(32)7-5-3-4-6-8-25(33)28-35/h9-10,13-16,30-31,35H,3-8,11-12H2,1-2H3,(H,27,32)(H,28,33)
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n/an/a 160n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC3 using RHKK(Ac) as substrate


Eur J Med Chem 150: 667-677 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.006
BindingDB Entry DOI: 10.7270/Q2XW4NGM
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50462238
PNG
(CHEMBL4247905)
Show SMILES CC(C)c1cc(C(=O)N2CCc3cc(NC(=O)CCCCCCCC(=O)NO)ccc23)c(O)cc1O
Show InChI InChI=1S/C27H35N3O6/c1-17(2)20-15-21(24(32)16-23(20)31)27(35)30-13-12-18-14-19(10-11-22(18)30)28-25(33)8-6-4-3-5-7-9-26(34)29-36/h10-11,14-17,31-32,36H,3-9,12-13H2,1-2H3,(H,28,33)(H,29,34)
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n/an/a 174n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa nuclear extract using Ac-Lys(Ac)-pNA as substrate measured after 30 mins by fluorometric analysis


Eur J Med Chem 150: 667-677 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.006
BindingDB Entry DOI: 10.7270/Q2XW4NGM
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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n/an/a 179n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged recombinant human full length MNK1 expressed in insect cells


Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00516
BindingDB Entry DOI: 10.7270/Q28G8QCK
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50259811
PNG
(CHEMBL4066975)
Show SMILES COc1ccc(cc1)C(=O)c1cn(Cc2ccc(cc2)C(=O)NO)c2cc(OC)ccc12
Show InChI InChI=1S/C25H22N2O5/c1-31-19-9-7-17(8-10-19)24(28)22-15-27(23-13-20(32-2)11-12-21(22)23)14-16-3-5-18(6-4-16)25(29)26-30/h3-13,15,30H,14H2,1-2H3,(H,26,29)
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n/an/a 209n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 using fluorogenic substrate by fluorescence assay


Eur J Med Chem 125: 1268-1278 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.033
BindingDB Entry DOI: 10.7270/Q2XD145D
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50049395
PNG
(5,7,4'-Trihydroxy-6-methoxyflavone | 5,7-Dihydroxy...)
Show SMILES COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1
Show InChI InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3
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PubMed
n/an/a 252n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged recombinant human full length MNK2 expressed in baculovirus expression system incubated for 1 hr by Kinase Tracer...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00516
BindingDB Entry DOI: 10.7270/Q28G8QCK
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50446481
PNG
(CHEMBL3110004 | US10011611, TMP269 | US10722597, C...)
Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)
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n/an/a 263n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC5 using fluorogenic substrate by fluorescence assay


Eur J Med Chem 125: 1268-1278 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.033
BindingDB Entry DOI: 10.7270/Q2XD145D
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50259807
PNG
(CHEMBL4081822)
Show SMILES COc1ccc2c(cn(c2c1)S(=O)(=O)c1cccc(\C=C\C(=O)NO)c1)C(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C28H26N2O9S/c1-36-19-9-10-21-22(27(32)18-13-24(37-2)28(39-4)25(14-18)38-3)16-30(23(21)15-19)40(34,35)20-7-5-6-17(12-20)8-11-26(31)29-33/h5-16,33H,1-4H3,(H,29,31)/b11-8+
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n/an/a 275n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using fluorogenic substrate by fluorescence assay


Eur J Med Chem 125: 1268-1278 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.033
BindingDB Entry DOI: 10.7270/Q2XD145D
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50462237
PNG
(CHEMBL4241615)
Show SMILES CC(C)c1cc(C(=O)N2CCc3cc(NC(=O)CCCCCCC(=O)NO)ccc23)c(O)cc1O
Show InChI InChI=1S/C26H33N3O6/c1-16(2)19-14-20(23(31)15-22(19)30)26(34)29-12-11-17-13-18(9-10-21(17)29)27-24(32)7-5-3-4-6-8-25(33)28-35/h9-10,13-16,30-31,35H,3-8,11-12H2,1-2H3,(H,27,32)(H,28,33)
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n/an/a 284n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 using RHKAcKAc as substrate


Eur J Med Chem 150: 667-677 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.006
BindingDB Entry DOI: 10.7270/Q2XW4NGM
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50259809
PNG
(CHEMBL4070232)
Show SMILES COc1ccc2c(cn(Cc3ccc(\C=C\C(=O)NO)cc3)c2c1)C(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C29H28N2O7/c1-35-21-10-11-22-23(28(33)20-13-25(36-2)29(38-4)26(14-20)37-3)17-31(24(22)15-21)16-19-7-5-18(6-8-19)9-12-27(32)30-34/h5-15,17,34H,16H2,1-4H3,(H,30,32)/b12-9+
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n/an/a 288n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 using fluorogenic substrate by fluorescence assay


Eur J Med Chem 125: 1268-1278 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.033
BindingDB Entry DOI: 10.7270/Q2XD145D
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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PubMed
n/an/a 308n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged recombinant human full length MNK2 expressed in baculovirus expression system incubated for 1 hr by Kinase Tracer...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00516
BindingDB Entry DOI: 10.7270/Q28G8QCK
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 314n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 using fluorogenic substrate by fluorescence assay


Eur J Med Chem 125: 1268-1278 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.033
BindingDB Entry DOI: 10.7270/Q2XD145D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 2


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 333n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 using fluorogenic substrate by fluorescence assay


Eur J Med Chem 125: 1268-1278 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.033
BindingDB Entry DOI: 10.7270/Q2XD145D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50462239
PNG
(CHEMBL4237454)
Show SMILES CC(C)c1cc(C(=O)N2CCc3cc(NC(=O)CCCCCC(=O)NO)ccc23)c(O)cc1O
Show InChI InChI=1S/C25H31N3O6/c1-15(2)18-13-19(22(30)14-21(18)29)25(33)28-11-10-16-12-17(8-9-20(16)28)26-23(31)6-4-3-5-7-24(32)27-34/h8-9,12-15,29-30,34H,3-7,10-11H2,1-2H3,(H,26,31)(H,27,32)
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n/an/a 340n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC3 using RHKK(Ac) as substrate


Eur J Med Chem 150: 667-677 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.006
BindingDB Entry DOI: 10.7270/Q2XW4NGM
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50259810
PNG
(CHEMBL4098353)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1cn(Cc2ccc(\C=C\C(=O)NO)cc2)c2ccccc12
Show InChI InChI=1S/C28H26N2O6/c1-34-24-14-20(15-25(35-2)28(24)36-3)27(32)22-17-30(23-7-5-4-6-21(22)23)16-19-10-8-18(9-11-19)12-13-26(31)29-33/h4-15,17,33H,16H2,1-3H3,(H,29,31)/b13-12+
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n/an/a 386n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 using fluorogenic substrate by fluorescence assay


Eur J Med Chem 125: 1268-1278 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.033
BindingDB Entry DOI: 10.7270/Q2XD145D
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50259808
PNG
(CHEMBL4093691)
Show SMILES COc1ccc2c(cn(Cc3ccc(cc3)C(=O)NO)c2c1)C(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C27H26N2O7/c1-33-19-9-10-20-21(25(30)18-11-23(34-2)26(36-4)24(12-18)35-3)15-29(22(20)13-19)14-16-5-7-17(8-6-16)27(31)28-32/h5-13,15,32H,14H2,1-4H3,(H,28,31)
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n/an/a 390n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8 using fluorogenic substrate by fluorescence assay


Eur J Med Chem 125: 1268-1278 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.033
BindingDB Entry DOI: 10.7270/Q2XD145D
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50462239
PNG
(CHEMBL4237454)
Show SMILES CC(C)c1cc(C(=O)N2CCc3cc(NC(=O)CCCCCC(=O)NO)ccc23)c(O)cc1O
Show InChI InChI=1S/C25H31N3O6/c1-15(2)18-13-19(22(30)14-21(18)29)25(33)28-11-10-16-12-17(8-9-20(16)28)26-23(31)6-4-3-5-7-24(32)27-34/h8-9,12-15,29-30,34H,3-7,10-11H2,1-2H3,(H,26,31)(H,27,32)
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n/an/a 440n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 using RHKK(Ac) as substrate


Eur J Med Chem 150: 667-677 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.006
BindingDB Entry DOI: 10.7270/Q2XW4NGM
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50259807
PNG
(CHEMBL4081822)
Show SMILES COc1ccc2c(cn(c2c1)S(=O)(=O)c1cccc(\C=C\C(=O)NO)c1)C(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C28H26N2O9S/c1-36-19-9-10-21-22(27(32)18-13-24(37-2)28(39-4)25(14-18)38-3)16-30(23(21)15-19)40(34,35)20-7-5-6-17(12-20)8-11-26(31)29-33/h5-16,33H,1-4H3,(H,29,31)/b11-8+
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n/an/a 468n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using fluorogenic substrate by fluorescence assay


Eur J Med Chem 125: 1268-1278 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.033
BindingDB Entry DOI: 10.7270/Q2XD145D
More data for this
Ligand-Target Pair
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