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Compile Data Set for Download or QSAR

Found 20 hits with Last Name = 'iside' and Initial = 'c'   
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))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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n/an/a 30n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal GST-tagged full length HDAC6 expressed in insect SF9 cells using fluorogenic ZMAL as substrate after 90 mi...


Eur J Med Chem 157: 127-138 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.069
BindingDB Entry DOI: 10.7270/Q2PZ5CJ3
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50468975
PNG
(CHEMBL4283913)
Show SMILES ONC(=O)c1ccc(CN2CC3(CCCCC3)c3ccccc23)cc1
Show InChI InChI=1S/C21H24N2O2/c24-20(22-25)17-10-8-16(9-11-17)14-23-15-21(12-4-1-5-13-21)18-6-2-3-7-19(18)23/h2-3,6-11,25H,1,4-5,12-15H2,(H,22,24)
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n/an/a 41n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal GST-tagged full length HDAC6 expressed in insect SF9 cells using fluorogenic ZMAL as substrate after 90 mi...


Eur J Med Chem 157: 127-138 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.069
BindingDB Entry DOI: 10.7270/Q2PZ5CJ3
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50468978
PNG
(CHEMBL4291778)
Show SMILES CC(C)(C)OC(=O)N1CCC2(CN(Cc3ccc(cc3)C(=O)NO)c3ccccc23)CC1
Show InChI InChI=1S/C25H31N3O4/c1-24(2,3)32-23(30)27-14-12-25(13-15-27)17-28(21-7-5-4-6-20(21)25)16-18-8-10-19(11-9-18)22(29)26-31/h4-11,31H,12-17H2,1-3H3,(H,26,29)
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n/an/a 42n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal GST-tagged full length HDAC6 expressed in insect SF9 cells using fluorogenic ZMAL as substrate after 90 mi...


Eur J Med Chem 157: 127-138 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.069
BindingDB Entry DOI: 10.7270/Q2PZ5CJ3
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50468976
PNG
(CHEMBL4290685)
Show SMILES CC(C)(C)C(=O)N1CCC2(CN(Cc3ccc(cc3)C(=O)NO)c3ccccc23)CC1
Show InChI InChI=1S/C25H31N3O3/c1-24(2,3)23(30)27-14-12-25(13-15-27)17-28(21-7-5-4-6-20(21)25)16-18-8-10-19(11-9-18)22(29)26-31/h4-11,31H,12-17H2,1-3H3,(H,26,29)
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n/an/a 60n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal GST-tagged full length HDAC6 expressed in insect SF9 cells using fluorogenic ZMAL as substrate after 90 mi...


Eur J Med Chem 157: 127-138 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.069
BindingDB Entry DOI: 10.7270/Q2PZ5CJ3
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50468974
PNG
(CHEMBL4295221)
Show SMILES CC(=O)N1CCC2(CN(Cc3ccc(cc3)C(=O)NO)c3ccccc23)CC1
Show InChI InChI=1S/C22H25N3O3/c1-16(26)24-12-10-22(11-13-24)15-25(20-5-3-2-4-19(20)22)14-17-6-8-18(9-7-17)21(27)23-28/h2-9,28H,10-15H2,1H3,(H,23,27)
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n/an/a 63n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal GST-tagged full length HDAC6 expressed in insect SF9 cells using fluorogenic ZMAL as substrate after 90 mi...


Eur J Med Chem 157: 127-138 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.069
BindingDB Entry DOI: 10.7270/Q2PZ5CJ3
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50468972
PNG
(CHEMBL4287273)
Show SMILES CN1CCC2(CN(Cc3ccc(cc3)C(=O)NO)c3ccccc23)CC1
Show InChI InChI=1S/C21H25N3O2/c1-23-12-10-21(11-13-23)15-24(19-5-3-2-4-18(19)21)14-16-6-8-17(9-7-16)20(25)22-26/h2-9,26H,10-15H2,1H3,(H,22,25)
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n/an/a 204n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal GST-tagged full length HDAC6 expressed in insect SF9 cells using fluorogenic ZMAL as substrate after 90 mi...


Eur J Med Chem 157: 127-138 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.069
BindingDB Entry DOI: 10.7270/Q2PZ5CJ3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50468975
PNG
(CHEMBL4283913)
Show SMILES ONC(=O)c1ccc(CN2CC3(CCCCC3)c3ccccc23)cc1
Show InChI InChI=1S/C21H24N2O2/c24-20(22-25)17-10-8-16(9-11-17)14-23-15-21(12-4-1-5-13-21)18-6-2-3-7-19(18)23/h2-3,6-11,25H,1,4-5,12-15H2,(H,22,24)
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n/an/a 253n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 using fluor de Lys(R) as substrate after 90 mins by fluorescence-based assay


Eur J Med Chem 157: 127-138 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.069
BindingDB Entry DOI: 10.7270/Q2PZ5CJ3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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n/an/a 695n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 using fluor de Lys(R) as substrate after 90 mins by fluorescence-based assay


Eur J Med Chem 157: 127-138 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.069
BindingDB Entry DOI: 10.7270/Q2PZ5CJ3
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50468973
PNG
(CHEMBL4294088)
Show SMILES CC(C)(C)OC(=O)N1CCC2(CN(Cc3ccc(s3)C(=O)NO)c3ccccc23)CC1
Show InChI InChI=1S/C23H29N3O4S/c1-22(2,3)30-21(28)25-12-10-23(11-13-25)15-26(18-7-5-4-6-17(18)23)14-16-8-9-19(31-16)20(27)24-29/h4-9,29H,10-15H2,1-3H3,(H,24,27)
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n/an/a 719n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal GST-tagged full length HDAC6 expressed in insect SF9 cells using fluorogenic ZMAL as substrate after 90 mi...


Eur J Med Chem 157: 127-138 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.069
BindingDB Entry DOI: 10.7270/Q2PZ5CJ3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50468973
PNG
(CHEMBL4294088)
Show SMILES CC(C)(C)OC(=O)N1CCC2(CN(Cc3ccc(s3)C(=O)NO)c3ccccc23)CC1
Show InChI InChI=1S/C23H29N3O4S/c1-22(2,3)30-21(28)25-12-10-23(11-13-25)15-26(18-7-5-4-6-17(18)23)14-16-8-9-19(31-16)20(27)24-29/h4-9,29H,10-15H2,1-3H3,(H,24,27)
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n/an/a 1.34E+3n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 using fluor de Lys(R) as substrate after 90 mins by fluorescence-based assay


Eur J Med Chem 157: 127-138 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.069
BindingDB Entry DOI: 10.7270/Q2PZ5CJ3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50468978
PNG
(CHEMBL4291778)
Show SMILES CC(C)(C)OC(=O)N1CCC2(CN(Cc3ccc(cc3)C(=O)NO)c3ccccc23)CC1
Show InChI InChI=1S/C25H31N3O4/c1-24(2,3)32-23(30)27-14-12-25(13-15-27)17-28(21-7-5-4-6-20(21)25)16-18-8-10-19(11-9-18)22(29)26-31/h4-11,31H,12-17H2,1-3H3,(H,26,29)
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 using fluor de Lys(R) as substrate after 90 mins by fluorescence-based assay


Eur J Med Chem 157: 127-138 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.069
BindingDB Entry DOI: 10.7270/Q2PZ5CJ3
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50468977
PNG
(CHEMBL4280047)
Show SMILES CN1CCC2(CN(Cc3ccc(s3)C(=O)NO)c3ccccc23)CC1
Show InChI InChI=1S/C19H23N3O2S/c1-21-10-8-19(9-11-21)13-22(16-5-3-2-4-15(16)19)12-14-6-7-17(25-14)18(23)20-24/h2-7,24H,8-13H2,1H3,(H,20,23)
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n/an/a 1.78E+3n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal GST-tagged full length HDAC6 expressed in insect SF9 cells using fluorogenic ZMAL as substrate after 90 mi...


Eur J Med Chem 157: 127-138 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.069
BindingDB Entry DOI: 10.7270/Q2PZ5CJ3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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n/an/a 1.91E+3n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His/FLAG-tagged full length HDAC1 expressed in insect SF9 cells using fluorogenic ZMAL as substrate after ...


Eur J Med Chem 157: 127-138 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.069
BindingDB Entry DOI: 10.7270/Q2PZ5CJ3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50468978
PNG
(CHEMBL4291778)
Show SMILES CC(C)(C)OC(=O)N1CCC2(CN(Cc3ccc(cc3)C(=O)NO)c3ccccc23)CC1
Show InChI InChI=1S/C25H31N3O4/c1-24(2,3)32-23(30)27-14-12-25(13-15-27)17-28(21-7-5-4-6-20(21)25)16-18-8-10-19(11-9-18)22(29)26-31/h4-11,31H,12-17H2,1-3H3,(H,26,29)
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His/FLAG-tagged full length HDAC1 expressed in insect SF9 cells using fluorogenic ZMAL as substrate after ...


Eur J Med Chem 157: 127-138 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.069
BindingDB Entry DOI: 10.7270/Q2PZ5CJ3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50468976
PNG
(CHEMBL4290685)
Show SMILES CC(C)(C)C(=O)N1CCC2(CN(Cc3ccc(cc3)C(=O)NO)c3ccccc23)CC1
Show InChI InChI=1S/C25H31N3O3/c1-24(2,3)23(30)27-14-12-25(13-15-27)17-28(21-7-5-4-6-20(21)25)16-18-8-10-19(11-9-18)22(29)26-31/h4-11,31H,12-17H2,1-3H3,(H,26,29)
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n/an/a 4.47E+3n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His/FLAG-tagged full length HDAC1 expressed in insect SF9 cells using fluorogenic ZMAL as substrate after ...


Eur J Med Chem 157: 127-138 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.069
BindingDB Entry DOI: 10.7270/Q2PZ5CJ3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50468975
PNG
(CHEMBL4283913)
Show SMILES ONC(=O)c1ccc(CN2CC3(CCCCC3)c3ccccc23)cc1
Show InChI InChI=1S/C21H24N2O2/c24-20(22-25)17-10-8-16(9-11-17)14-23-15-21(12-4-1-5-13-21)18-6-2-3-7-19(18)23/h2-3,6-11,25H,1,4-5,12-15H2,(H,22,24)
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n/an/a 6.79E+3n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His/FLAG-tagged full length HDAC1 expressed in insect SF9 cells using fluorogenic ZMAL as substrate after ...


Eur J Med Chem 157: 127-138 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.069
BindingDB Entry DOI: 10.7270/Q2PZ5CJ3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50468974
PNG
(CHEMBL4295221)
Show SMILES CC(=O)N1CCC2(CN(Cc3ccc(cc3)C(=O)NO)c3ccccc23)CC1
Show InChI InChI=1S/C22H25N3O3/c1-16(26)24-12-10-22(11-13-24)15-25(20-5-3-2-4-19(20)22)14-17-6-8-18(9-7-17)21(27)23-28/h2-9,28H,10-15H2,1H3,(H,23,27)
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n/an/a 7.29E+3n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His/FLAG-tagged full length HDAC1 expressed in insect SF9 cells using fluorogenic ZMAL as substrate after ...


Eur J Med Chem 157: 127-138 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.069
BindingDB Entry DOI: 10.7270/Q2PZ5CJ3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50468973
PNG
(CHEMBL4294088)
Show SMILES CC(C)(C)OC(=O)N1CCC2(CN(Cc3ccc(s3)C(=O)NO)c3ccccc23)CC1
Show InChI InChI=1S/C23H29N3O4S/c1-22(2,3)30-21(28)25-12-10-23(11-13-25)15-26(18-7-5-4-6-17(18)23)14-16-8-9-19(31-16)20(27)24-29/h4-9,29H,10-15H2,1-3H3,(H,24,27)
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n/an/a 1.09E+4n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His/FLAG-tagged full length HDAC1 expressed in insect SF9 cells using fluorogenic ZMAL as substrate after ...


Eur J Med Chem 157: 127-138 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.069
BindingDB Entry DOI: 10.7270/Q2PZ5CJ3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50468977
PNG
(CHEMBL4280047)
Show SMILES CN1CCC2(CN(Cc3ccc(s3)C(=O)NO)c3ccccc23)CC1
Show InChI InChI=1S/C19H23N3O2S/c1-21-10-8-19(9-11-21)13-22(16-5-3-2-4-15(16)19)12-14-6-7-17(25-14)18(23)20-24/h2-7,24H,8-13H2,1H3,(H,20,23)
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UniChem
Article
PubMed
n/an/a 1.14E+4n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His/FLAG-tagged full length HDAC1 expressed in insect SF9 cells using fluorogenic ZMAL as substrate after ...


Eur J Med Chem 157: 127-138 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.069
BindingDB Entry DOI: 10.7270/Q2PZ5CJ3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50468972
PNG
(CHEMBL4287273)
Show SMILES CN1CCC2(CN(Cc3ccc(cc3)C(=O)NO)c3ccccc23)CC1
Show InChI InChI=1S/C21H25N3O2/c1-23-12-10-21(11-13-23)15-24(19-5-3-2-4-18(19)21)14-16-6-8-17(9-7-16)20(25)22-26/h2-9,26H,10-15H2,1H3,(H,22,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.17E+4n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His/FLAG-tagged full length HDAC1 expressed in insect SF9 cells using fluorogenic ZMAL as substrate after ...


Eur J Med Chem 157: 127-138 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.069
BindingDB Entry DOI: 10.7270/Q2PZ5CJ3
More data for this
Ligand-Target Pair