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PubMed code 26122774

Compile data set for download or QSAR
Found 13 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 (HDAC1 and HDAC2)


(Homo sapiens (Human))
BDBM50498393
PNG
(CHEMBL3594331)
Show SMILES ONC(=O)CCCCCCOC(=O)c1cccc2[n+]([O-])onc12
Show InChI InChI=1S/C14H17N3O6/c18-12(15-20)8-3-1-2-4-9-22-14(19)10-6-5-7-11-13(10)16-23-17(11)21/h5-7,20H,1-4,8-9H2,(H,15,18)
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n/an/a 13n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells using Boc-Lys (acetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem 23: 4481-4488 (2015)


Article DOI: 10.1016/j.bmc.2015.06.015
BindingDB Entry DOI: 10.7270/Q2PG1VQS
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))
BDBM50498392
PNG
(CHEMBL3594330)
Show SMILES ONC(=O)CCCCCOC(=O)c1cccc2[n+]([O-])onc12
Show InChI InChI=1S/C13H15N3O6/c17-11(14-19)7-2-1-3-8-21-13(18)9-5-4-6-10-12(9)15-22-16(10)20/h4-6,19H,1-3,7-8H2,(H,14,17)
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n/an/a 17n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells using Boc-Lys (acetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem 23: 4481-4488 (2015)


Article DOI: 10.1016/j.bmc.2015.06.015
BindingDB Entry DOI: 10.7270/Q2PG1VQS
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))
BDBM50498399
PNG
(CHEMBL3593256)
Show SMILES ONC(=O)CCCCCCOC(=O)c1ccc2[n+]([O-])onc2c1
Show InChI InChI=1S/C14H17N3O6/c18-13(15-20)5-3-1-2-4-8-22-14(19)10-6-7-12-11(9-10)16-23-17(12)21/h6-7,9,20H,1-5,8H2,(H,15,18)
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n/an/a 18n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells using Boc-Lys (acetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem 23: 4481-4488 (2015)


Article DOI: 10.1016/j.bmc.2015.06.015
BindingDB Entry DOI: 10.7270/Q2PG1VQS
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(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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PDB
Article
PubMed
n/an/a 108n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells using Boc-Lys (acetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem 23: 4481-4488 (2015)


Article DOI: 10.1016/j.bmc.2015.06.015
BindingDB Entry DOI: 10.7270/Q2PG1VQS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))
BDBM50498395
PNG
(CHEMBL3594332)
Show SMILES ONC(=O)CCCCCCCOC(=O)c1cccc2[n+]([O-])onc12
Show InChI InChI=1S/C15H19N3O6/c19-13(16-21)9-4-2-1-3-5-10-23-15(20)11-7-6-8-12-14(11)17-24-18(12)22/h6-8,21H,1-5,9-10H2,(H,16,19)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 137n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells using Boc-Lys (acetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem 23: 4481-4488 (2015)


Article DOI: 10.1016/j.bmc.2015.06.015
BindingDB Entry DOI: 10.7270/Q2PG1VQS
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))
BDBM50498391
PNG
(CHEMBL3594297)
Show SMILES ONC(=O)CCCCCCCOC(=O)c1ccc2[n+]([O-])onc2c1
Show InChI InChI=1S/C15H19N3O6/c19-14(16-21)6-4-2-1-3-5-9-23-15(20)11-7-8-13-12(10-11)17-24-18(13)22/h7-8,10,21H,1-6,9H2,(H,16,19)
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n/an/a 180n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells using Boc-Lys (acetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem 23: 4481-4488 (2015)


Article DOI: 10.1016/j.bmc.2015.06.015
BindingDB Entry DOI: 10.7270/Q2PG1VQS
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))
BDBM50498388
PNG
(CHEMBL3594329)
Show SMILES ONC(=O)CCCCOC(=O)c1cccc2[n+]([O-])onc12
Show InChI InChI=1S/C12H13N3O6/c16-10(13-18)6-1-2-7-20-12(17)8-4-3-5-9-11(8)14-21-15(9)19/h3-5,18H,1-2,6-7H2,(H,13,16)
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UniChem
Article
PubMed
n/an/a 258n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells using Boc-Lys (acetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem 23: 4481-4488 (2015)


Article DOI: 10.1016/j.bmc.2015.06.015
BindingDB Entry DOI: 10.7270/Q2PG1VQS
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))
BDBM50498390
PNG
(CHEMBL3594296)
Show SMILES ONC(=O)CCCCCOC(=O)c1ccc2[n+]([O-])onc2c1
Show InChI InChI=1S/C13H15N3O6/c17-12(14-19)4-2-1-3-7-21-13(18)9-5-6-11-10(8-9)15-22-16(11)20/h5-6,8,19H,1-4,7H2,(H,14,17)
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n/an/a 437n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells using Boc-Lys (acetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem 23: 4481-4488 (2015)


Article DOI: 10.1016/j.bmc.2015.06.015
BindingDB Entry DOI: 10.7270/Q2PG1VQS
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))
BDBM50498396
PNG
(CHEMBL3594295)
Show SMILES ONC(=O)CCCCOC(=O)c1ccc2[n+]([O-])onc2c1
Show InChI InChI=1S/C12H13N3O6/c16-11(13-18)3-1-2-6-20-12(17)8-4-5-10-9(7-8)14-21-15(10)19/h4-5,7,18H,1-3,6H2,(H,13,16)
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n/an/a 2.21E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells using Boc-Lys (acetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem 23: 4481-4488 (2015)


Article DOI: 10.1016/j.bmc.2015.06.015
BindingDB Entry DOI: 10.7270/Q2PG1VQS
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))
BDBM50498389
PNG
(CHEMBL3594294)
Show SMILES ONC(=O)CCCOC(=O)c1ccc2[n+]([O-])onc2c1
Show InChI InChI=1S/C11H11N3O6/c15-10(12-17)2-1-5-19-11(16)7-3-4-9-8(6-7)13-20-14(9)18/h3-4,6,17H,1-2,5H2,(H,12,15)
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n/an/a 5.57E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells using Boc-Lys (acetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem 23: 4481-4488 (2015)


Article DOI: 10.1016/j.bmc.2015.06.015
BindingDB Entry DOI: 10.7270/Q2PG1VQS
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))
BDBM50498397
PNG
(CHEMBL3594298)
Show SMILES ONC(=O)CCCOC(=O)c1cccc2[n+]([O-])onc12
Show InChI InChI=1S/C11H11N3O6/c15-9(12-17)5-2-6-19-11(16)7-3-1-4-8-10(7)13-20-14(8)18/h1,3-4,17H,2,5-6H2,(H,12,15)
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PubMed
n/an/a 6.81E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells using Boc-Lys (acetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem 23: 4481-4488 (2015)


Article DOI: 10.1016/j.bmc.2015.06.015
BindingDB Entry DOI: 10.7270/Q2PG1VQS
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))
BDBM50498394
PNG
(CHEMBL3594333)
Show SMILES OC(=O)c1cccc2[n+]([O-])onc12
Show InChI InChI=1S/C7H4N2O4/c10-7(11)4-2-1-3-5-6(4)8-13-9(5)12/h1-3H,(H,10,11)
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PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells using Boc-Lys (acetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem 23: 4481-4488 (2015)


Article DOI: 10.1016/j.bmc.2015.06.015
BindingDB Entry DOI: 10.7270/Q2PG1VQS
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))
BDBM50498398
PNG
(CHEMBL2270111)
Show SMILES OC(=O)c1ccc2[n+]([O-])onc2c1
Show InChI InChI=1S/C7H4N2O4/c10-7(11)4-1-2-6-5(3-4)8-13-9(6)12/h1-3H,(H,10,11)
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PC cid
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UniChem
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PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells using Boc-Lys (acetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Bioorg Med Chem 23: 4481-4488 (2015)


Article DOI: 10.1016/j.bmc.2015.06.015
BindingDB Entry DOI: 10.7270/Q2PG1VQS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%