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PubMed code 14592473

Compile data set for download or QSAR
Found 35 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


(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 3.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Histone deacetylase (HDAC) in K 562 erythroleukemia cells


Bioorg Med Chem Lett 13: 3909-13 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP4892
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Histone deacetylase (HDAC) in K 562 erythroleukemia cells


Bioorg Med Chem Lett 13: 3909-13 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP4892
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase


(Homo sapiens (Human))
BDBM50222391
PNG
(CHEMBL127953)
Show SMILES COc1ccc(cc1)-c1csc(NC(=O)CCCCCCC(=O)c2ncco2)n1
Show InChI InChI=1S/C21H23N3O4S/c1-27-16-10-8-15(9-11-16)17-14-29-21(23-17)24-19(26)7-5-3-2-4-6-18(25)20-22-12-13-28-20/h8-14H,2-7H2,1H3,(H,23,24,26)
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n/an/a 30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Histone deacetylase in K 562 erythroleukemia cells.


Bioorg Med Chem Lett 13: 3909-13 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP4892
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50222389
PNG
(CHEMBL125416)
Show SMILES O=C(CCCCCCC(=O)c1ncco1)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O3/c26-21(23-24-15-16-28-23)13-6-1-2-7-14-22(27)25-20-12-8-11-19(17-20)18-9-4-3-5-10-18/h3-5,8-12,15-17H,1-2,6-7,13-14H2,(H,25,27)
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n/an/a 60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Histone deacetylase in K 562 erythroleukemia cells.


Bioorg Med Chem Lett 13: 3909-13 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP4892
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50222393
PNG
(CHEMBL340725)
Show SMILES O=C(CCCCCCNC(=O)c1cc2ccccc2[nH]1)c1ncco1
Show InChI InChI=1S/C19H21N3O3/c23-17(19-21-11-12-25-19)9-3-1-2-6-10-20-18(24)16-13-14-7-4-5-8-15(14)22-16/h4-5,7-8,11-13,22H,1-3,6,9-10H2,(H,20,24)
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n/an/a 90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Histone deacetylase in K 562 erythroleukemia cells.


Bioorg Med Chem Lett 13: 3909-13 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP4892
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50221965
PNG
(CHEMBL113303)
Show SMILES CNC(=O)C(=O)CCCCCCOc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H25NO3/c1-22-21(24)20(23)11-7-2-3-8-16-25-19-14-12-18(13-15-19)17-9-5-4-6-10-17/h4-6,9-10,12-15H,2-3,7-8,11,16H2,1H3,(H,22,24)
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n/an/a 110n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Histone deacetylase (HDAC) in K 562 erythroleukemia cells


Bioorg Med Chem Lett 13: 3909-13 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP4892
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50222378
PNG
(CHEMBL127627)
Show SMILES O=C(CCCCCCc1nnc(o1)-c1ccc(cc1)-c1ccccc1)c1ncco1
Show InChI InChI=1S/C24H23N3O3/c28-21(24-25-16-17-29-24)10-6-1-2-7-11-22-26-27-23(30-22)20-14-12-19(13-15-20)18-8-4-3-5-9-18/h3-5,8-9,12-17H,1-2,6-7,10-11H2
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n/an/a 250n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Histone deacetylase (HDAC) in K 562 erythroleukemia cells (Radioactivity based HDAC assay)


Bioorg Med Chem Lett 13: 3909-13 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP4892
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50222370
PNG
(CHEMBL126289)
Show SMILES O=C(CCCCCC(=O)c1ncco1)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C22H22N2O3/c25-20(22-23-14-15-27-22)12-5-2-6-13-21(26)24-19-11-7-10-18(16-19)17-8-3-1-4-9-17/h1,3-4,7-11,14-16H,2,5-6,12-13H2,(H,24,26)
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n/an/a 310n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Histone deacetylase in K 562 erythroleukemia cells.


Bioorg Med Chem Lett 13: 3909-13 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP4892
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50222374
PNG
(CHEMBL423515)
Show SMILES Clc1ccc(NC(=O)CCCCCCC(=O)c2ncco2)cc1
Show InChI InChI=1S/C17H19ClN2O3/c18-13-7-9-14(10-8-13)20-16(22)6-4-2-1-3-5-15(21)17-19-11-12-23-17/h7-12H,1-6H2,(H,20,22)
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n/an/a 320n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Histone deacetylase in K 562 erythroleukemia cells.


Bioorg Med Chem Lett 13: 3909-13 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP4892
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50222396
PNG
(CHEMBL338816)
Show SMILES O=C(CCCCCNC(=O)c1cc2ccccc2[nH]1)c1ncco1
Show InChI InChI=1S/C18H19N3O3/c22-16(18-20-10-11-24-18)8-2-1-5-9-19-17(23)15-12-13-6-3-4-7-14(13)21-15/h3-4,6-7,10-12,21H,1-2,5,8-9H2,(H,19,23)
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n/an/a 340n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Histone deacetylase in K 562 erythroleukemia cells.


Bioorg Med Chem Lett 13: 3909-13 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP4892
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50222385
PNG
(CHEMBL127179)
Show SMILES O=C(CCCCCCNc1ccc2ccccc2c1)c1ncco1
Show InChI InChI=1S/C20H22N2O2/c23-19(20-22-13-14-24-20)9-3-1-2-6-12-21-18-11-10-16-7-4-5-8-17(16)15-18/h4-5,7-8,10-11,13-15,21H,1-3,6,9,12H2
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n/an/a 430n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Histone deacetylase in K 562 erythroleukemia cells.


Bioorg Med Chem Lett 13: 3909-13 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP4892
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50222369
PNG
(CHEMBL127328)
Show SMILES O=C(CCCCCCOc1ccc2ccccc2c1)c1ncco1
Show InChI InChI=1S/C20H21NO3/c22-19(20-21-12-14-24-20)9-3-1-2-6-13-23-18-11-10-16-7-4-5-8-17(16)15-18/h4-5,7-8,10-12,14-15H,1-3,6,9,13H2
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n/an/a 520n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Histone deacetylase in K 562 erythroleukemia cells.


Bioorg Med Chem Lett 13: 3909-13 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP4892
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50222390
PNG
(CHEMBL127606)
Show SMILES O=C(CCCCCCSc1ccc2ccccc2c1)c1ncco1
Show InChI InChI=1S/C20H21NO2S/c22-19(20-21-12-13-23-20)9-3-1-2-6-14-24-18-11-10-16-7-4-5-8-17(16)15-18/h4-5,7-8,10-13,15H,1-3,6,9,14H2
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n/an/a 540n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Histone deacetylase in K 562 erythroleukemia cells.


Bioorg Med Chem Lett 13: 3909-13 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP4892
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50222371
PNG
(CHEMBL126777)
Show SMILES O=C(CCCCCCC(=O)c1ncco1)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C23H24N2O4/c26-21(23-24-16-17-28-23)10-6-1-2-7-11-22(27)25-18-12-14-20(15-13-18)29-19-8-4-3-5-9-19/h3-5,8-9,12-17H,1-2,6-7,10-11H2,(H,25,27)
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n/an/a 580n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Histone deacetylase in K 562 erythroleukemia cells.


Bioorg Med Chem Lett 13: 3909-13 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP4892
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50222392
PNG
(CHEMBL340721)
Show SMILES O=C(CCCCCCS(=O)(=O)c1ccc2ccccc2c1)c1ncco1
Show InChI InChI=1S/C20H21NO4S/c22-19(20-21-12-13-25-20)9-3-1-2-6-14-26(23,24)18-11-10-16-7-4-5-8-17(16)15-18/h4-5,7-8,10-13,15H,1-3,6,9,14H2
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n/an/a 610n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Histone deacetylase in K 562 erythroleukemia cells.


Bioorg Med Chem Lett 13: 3909-13 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP4892
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50222367
PNG
(CHEMBL127351)
Show SMILES O=C(CCCCCCOc1cccc(c1)-c1ccccc1)c1ncco1
Show InChI InChI=1S/C22H23NO3/c24-21(22-23-14-16-26-22)13-6-1-2-7-15-25-20-12-8-11-19(17-20)18-9-4-3-5-10-18/h3-5,8-12,14,16-17H,1-2,6-7,13,15H2
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n/an/a 620n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Histone deacetylase in K 562 erythroleukemia cells.


Bioorg Med Chem Lett 13: 3909-13 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP4892
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50222381
PNG
(CHEMBL126465)
Show SMILES O=C(CCCCC\C=C\c1ccc(cc1)-c1ccccc1)c1ncco1
Show InChI InChI=1S/C23H23NO2/c25-22(23-24-17-18-26-23)12-8-3-1-2-5-9-19-13-15-21(16-14-19)20-10-6-4-7-11-20/h4-7,9-11,13-18H,1-3,8,12H2/b9-5+
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n/an/a 990n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Histone deacetylase in K 562 erythroleukemia cells.


Bioorg Med Chem Lett 13: 3909-13 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP4892
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50222394
PNG
(CHEMBL126355)
Show SMILES O=C(CCCCCCOc1ccc(cc1)-c1ccccc1)c1ncco1
Show InChI InChI=1S/C22H23NO3/c24-21(22-23-15-17-26-22)10-6-1-2-7-16-25-20-13-11-19(12-14-20)18-8-4-3-5-9-18/h3-5,8-9,11-15,17H,1-2,6-7,10,16H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Histone deacetylase in K 562 erythroleukemia cells.


Bioorg Med Chem Lett 13: 3909-13 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP4892
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50222375
PNG
(CHEMBL126947)
Show SMILES Clc1ccc(NC(=O)CCCCCC(=O)c2ncco2)cc1
Show InChI InChI=1S/C16H17ClN2O3/c17-12-6-8-13(9-7-12)19-15(21)5-3-1-2-4-14(20)16-18-10-11-22-16/h6-11H,1-5H2,(H,19,21)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Histone deacetylase in K 562 erythroleukemia cells.


Bioorg Med Chem Lett 13: 3909-13 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP4892
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50222373
PNG
(CHEMBL338141)
Show SMILES O=C(CCCCCCOc1ccc(cc1)-c1ccccc1)C1=NCCO1 |t:23|
Show InChI InChI=1S/C22H25NO3/c24-21(22-23-15-17-26-22)10-6-1-2-7-16-25-20-13-11-19(12-14-20)18-8-4-3-5-9-18/h3-5,8-9,11-14H,1-2,6-7,10,15-17H2
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n/an/a 1.80E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Histone deacetylase in K 562 erythroleukemia cells.


Bioorg Med Chem Lett 13: 3909-13 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP4892
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50222382
PNG
(CHEMBL126874)
Show SMILES O=C(CCCCCCC(=O)c1ncco1)NNC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H25N3O4/c28-21(24-25-16-17-31-24)10-6-1-2-7-11-22(29)26-27-23(30)20-14-12-19(13-15-20)18-8-4-3-5-9-18/h3-5,8-9,12-17H,1-2,6-7,10-11H2,(H,26,29)(H,27,30)
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n/an/a 1.83E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Histone deacetylase (HDAC) in K 562 erythroleukemia cells (Radioactivity based HDAC assay)


Bioorg Med Chem Lett 13: 3909-13 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP4892
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM19410
PNG
(CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Histone deacetylase (HDAC) in K 562 erythroleukemia cells


Bioorg Med Chem Lett 13: 3909-13 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP4892
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50222377
PNG
(CHEMBL272294)
Show SMILES O=C(CCCCCCOc1ccc(cc1)-c1ccccc1)c1nnn[nH]1
Show InChI InChI=1S/C20H22N4O2/c25-19(20-21-23-24-22-20)10-6-1-2-7-15-26-18-13-11-17(12-14-18)16-8-4-3-5-9-16/h3-5,8-9,11-14H,1-2,6-7,10,15H2,(H,21,22,23,24)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Histone deacetylase in K 562 erythroleukemia cells.


Bioorg Med Chem Lett 13: 3909-13 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP4892
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50218532
PNG
(CHEMBL112148)
Show SMILES FC(F)(F)C(=O)CCCCCCOc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H21F3O2/c21-20(22,23)19(24)10-6-1-2-7-15-25-18-13-11-17(12-14-18)16-8-4-3-5-9-16/h3-5,8-9,11-14H,1-2,6-7,10,15H2
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n/an/a 2.90E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Histone deacetylase (HDAC) in K 562 erythroleukemia cells


Bioorg Med Chem Lett 13: 3909-13 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP4892
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50222376
PNG
(CHEMBL127949)
Show SMILES Clc1ccc(CNC(=O)CCCCCC(=O)c2ncco2)cc1
Show InChI InChI=1S/C17H19ClN2O3/c18-14-8-6-13(7-9-14)12-20-16(22)5-3-1-2-4-15(21)17-19-10-11-23-17/h6-11H,1-5,12H2,(H,20,22)
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n/an/a 6.40E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Histone deacetylase in K 562 erythroleukemia cells.


Bioorg Med Chem Lett 13: 3909-13 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP4892
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50222380
PNG
(CHEMBL126675)
Show SMILES Clc1ccc(NNC(=O)CCCCCC(=O)c2ncco2)cc1
Show InChI InChI=1S/C16H18ClN3O3/c17-12-6-8-13(9-7-12)19-20-15(22)5-3-1-2-4-14(21)16-18-10-11-23-16/h6-11,19H,1-5H2,(H,20,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Histone deacetylase (HDAC) in K 562 erythroleukemia cells (Radioactivity based HDAC assay)


Bioorg Med Chem Lett 13: 3909-13 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP4892
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50222386
PNG
(CHEMBL126828)
Show SMILES O=C(CCCCCCOc1ccc(cc1)-c1ccccc1)c1nc2ccccc2o1
Show InChI InChI=1S/C26H25NO3/c28-24(26-27-23-12-7-8-14-25(23)30-26)13-6-1-2-9-19-29-22-17-15-21(16-18-22)20-10-4-3-5-11-20/h3-5,7-8,10-12,14-18H,1-2,6,9,13,19H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Histone deacetylase (HDAC) in K 562 erythroleukemia cells (Radioactivity based HDAC assay)


Bioorg Med Chem Lett 13: 3909-13 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP4892
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50222379
PNG
(CHEMBL129641)
Show SMILES O=C(CCCCCCOc1ccc(cc1)-c1ccccc1)c1ncc[nH]1
Show InChI InChI=1S/C22H24N2O2/c25-21(22-23-15-16-24-22)10-6-1-2-7-17-26-20-13-11-19(12-14-20)18-8-4-3-5-9-18/h3-5,8-9,11-16H,1-2,6-7,10,17H2,(H,23,24)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Histone deacetylase (HDAC) in K 562 erythroleukemia cells (Radioactivity based HDAC assay)


Bioorg Med Chem Lett 13: 3909-13 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP4892
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50222384
PNG
(CHEMBL129739)
Show SMILES Cn1ccnc1C(=O)CCCCCCOc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H26N2O2/c1-25-17-16-24-23(25)22(26)11-7-2-3-8-18-27-21-14-12-20(13-15-21)19-9-5-4-6-10-19/h4-6,9-10,12-17H,2-3,7-8,11,18H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Histone deacetylase (HDAC) in K 562 erythroleukemia cells (Radioactivity based HDAC assay)


Bioorg Med Chem Lett 13: 3909-13 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP4892
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50222395
PNG
(CHEMBL125919)
Show SMILES O=C(CCCCCCOc1ccc(cc1)-c1ccccc1)c1nc2ncccc2o1
Show InChI InChI=1S/C25H24N2O3/c28-22(25-27-24-23(30-25)12-8-17-26-24)11-6-1-2-7-18-29-21-15-13-20(14-16-21)19-9-4-3-5-10-19/h3-5,8-10,12-17H,1-2,6-7,11,18H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Histone deacetylase (HDAC) in K 562 erythroleukemia cells (Radioactivity based HDAC assay)


Bioorg Med Chem Lett 13: 3909-13 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP4892
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50222368
PNG
(CHEMBL127964)
Show SMILES O=C(CCCCCCOc1ccc(cc1)-c1ccccc1)c1nccs1
Show InChI InChI=1S/C22H23NO2S/c24-21(22-23-15-17-26-22)10-6-1-2-7-16-25-20-13-11-19(12-14-20)18-8-4-3-5-9-18/h3-5,8-9,11-15,17H,1-2,6-7,10,16H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Histone deacetylase (HDAC) in K 562 erythroleukemia cells (Radioactivity based HDAC assay)


Bioorg Med Chem Lett 13: 3909-13 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP4892
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50222383
PNG
(CHEMBL127401)
Show SMILES O=C(CCCCCCOc1ccc(cc1)-c1ccccc1)c1ccccn1
Show InChI InChI=1S/C24H25NO2/c26-24(23-12-7-8-18-25-23)13-6-1-2-9-19-27-22-16-14-21(15-17-22)20-10-4-3-5-11-20/h3-5,7-8,10-12,14-18H,1-2,6,9,13,19H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Histone deacetylase (HDAC) in K 562 erythroleukemia cells (Radioactivity based HDAC assay)


Bioorg Med Chem Lett 13: 3909-13 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP4892
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50222388
PNG
(CHEMBL129419)
Show SMILES O=C([C@@H]1C[C@H]1CCCCOc1ccc(Oc2ccccc2)cc1)c1ncco1
Show InChI InChI=1S/C23H23NO4/c25-22(23-24-13-15-27-23)21-16-17(21)6-4-5-14-26-18-9-11-20(12-10-18)28-19-7-2-1-3-8-19/h1-3,7-13,15,17,21H,4-6,14,16H2/t17-,21-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Histone deacetylase (HDAC) in K 562 erythroleukemia cells (Radioactivity based HDAC assay)


Bioorg Med Chem Lett 13: 3909-13 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP4892
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50222387
PNG
(CHEMBL126478)
Show SMILES OC(CCCCCCOc1cccc(c1)-c1ccccc1)c1ncco1
Show InChI InChI=1S/C22H25NO3/c24-21(22-23-14-16-26-22)13-6-1-2-7-15-25-20-12-8-11-19(17-20)18-9-4-3-5-10-18/h3-5,8-12,14,16-17,21,24H,1-2,6-7,13,15H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Histone deacetylase (HDAC) in K 562 erythroleukemia cells (Radioactivity based HDAC assay)


Bioorg Med Chem Lett 13: 3909-13 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP4892
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50222372
PNG
(CHEMBL126815)
Show SMILES Cn1cncc1C(=O)CCCCCCOc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H26N2O2/c1-25-18-24-17-22(25)23(26)11-7-2-3-8-16-27-21-14-12-20(13-15-21)19-9-5-4-6-10-19/h4-6,9-10,12-15,17-18H,2-3,7-8,11,16H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Histone deacetylase (HDAC) in K 562 erythroleukemia cells (Radioactivity based HDAC assay)


Bioorg Med Chem Lett 13: 3909-13 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP4892
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%