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PubMed code 12749893

Compile data set for download or QSAR
Found 37 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
HDACs


(Homo sapiens (human))
BDBM50220805
PNG
(CHEMBL294194)
Show SMILES COc1cc(OC)c2cc([nH]c2c1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C18H25N3O5/c1-25-12-9-14-13(16(10-12)26-2)11-15(20-14)18(23)19-8-6-4-3-5-7-17(22)21-24/h9-11,20,24H,3-8H2,1-2H3,(H,19,23)(H,21,22)
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n/an/a 3.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220817
PNG
(CHEMBL57792)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C17H23N3O4/c1-24-15-8-6-7-13-12(15)11-14(19-13)17(22)18-10-5-3-2-4-9-16(21)20-23/h6-8,11,19,23H,2-5,9-10H2,1H3,(H,18,22)(H,20,21)
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n/an/a 3.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220804
PNG
(CHEMBL301223)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cc2cc(Br)ccc2[nH]1
Show InChI InChI=1S/C16H20BrN3O3/c17-12-6-7-13-11(9-12)10-14(19-13)16(22)18-8-4-2-1-3-5-15(21)20-23/h6-7,9-10,19,23H,1-5,8H2,(H,18,22)(H,20,21)
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n/an/a 3.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220802
PNG
(CHEMBL54409)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cn(-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C22H25N3O3/c26-21(24-28)14-6-1-2-9-15-23-22(27)19-16-25(17-10-4-3-5-11-17)20-13-8-7-12-18(19)20/h3-5,7-8,10-13,16,28H,1-2,6,9,14-15H2,(H,23,27)(H,24,26)
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n/an/a 3.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220819
PNG
(CHEMBL58487)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C16H20FN3O3/c17-12-6-7-13-11(9-12)10-14(19-13)16(22)18-8-4-2-1-3-5-15(21)20-23/h6-7,9-10,19,23H,1-5,8H2,(H,18,22)(H,20,21)
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n/an/a 5.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220807
PNG
(CHEMBL294447)
Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C17H23N3O3/c1-12-7-8-14-13(10-12)11-15(19-14)17(22)18-9-5-3-2-4-6-16(21)20-23/h7-8,10-11,19,23H,2-6,9H2,1H3,(H,18,22)(H,20,21)
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n/an/a 6.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220806
PNG
(CHEMBL293812)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C17H23N3O4/c1-24-13-7-8-14-12(10-13)11-15(19-14)17(22)18-9-5-3-2-4-6-16(21)20-23/h7-8,10-11,19,23H,2-6,9H2,1H3,(H,18,22)(H,20,21)
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n/an/a 6.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220822
PNG
(CHEMBL56214)
Show SMILES COc1ccc2cc([nH]c2c1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C17H23N3O4/c1-24-13-8-7-12-10-15(19-14(12)11-13)17(22)18-9-5-3-2-4-6-16(21)20-23/h7-8,10-11,19,23H,2-6,9H2,1H3,(H,18,22)(H,20,21)
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n/an/a 9.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220793
PNG
(CHEMBL54408)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cn(-c2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C22H24FN3O3/c23-16-10-12-17(13-11-16)26-15-19(18-7-4-5-8-20(18)26)22(28)24-14-6-2-1-3-9-21(27)25-29/h4-5,7-8,10-13,15,29H,1-3,6,9,14H2,(H,24,28)(H,25,27)
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n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220824
PNG
(CHEMBL56782)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C23H27N3O3/c27-22(25-29)14-6-1-2-9-15-24-23(28)20-17-26(16-18-10-4-3-5-11-18)21-13-8-7-12-19(20)21/h3-5,7-8,10-13,17,29H,1-2,6,9,14-16H2,(H,24,28)(H,25,27)
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n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220795
PNG
(CHEMBL57106)
Show SMILES Cc1c(oc2ccccc12)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C17H22N2O4/c1-12-13-8-5-6-9-14(13)23-16(12)17(21)18-11-7-3-2-4-10-15(20)19-22/h5-6,8-9,22H,2-4,7,10-11H2,1H3,(H,18,21)(H,19,20)
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n/an/a 13n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220810
PNG
(CHEMBL57226)
Show SMILES ONC(=O)CCCCCNC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C15H19N3O3/c19-14(18-21)8-2-1-5-9-16-15(20)13-10-11-6-3-4-7-12(11)17-13/h3-4,6-7,10,17,21H,1-2,5,8-9H2,(H,16,20)(H,18,19)
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n/an/a 13n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220794
PNG
(CHEMBL55719)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1
Show InChI InChI=1S/C23H27N3O4/c27-22(26-29)10-6-1-2-7-13-24-23(28)21-15-18-14-19(11-12-20(18)25-21)30-16-17-8-4-3-5-9-17/h3-5,8-9,11-12,14-15,25,29H,1-2,6-7,10,13,16H2,(H,24,28)(H,26,27)
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n/an/a 14n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220791
PNG
(CHEMBL59316)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cc2cc(Cl)ccc2o1
Show InChI InChI=1S/C16H19ClN2O4/c17-12-6-7-13-11(9-12)10-14(23-13)16(21)18-8-4-2-1-3-5-15(20)19-22/h6-7,9-10,22H,1-5,8H2,(H,18,21)(H,19,20)
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n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220811
PNG
(CHEMBL56157)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C16H21N3O3/c20-15(19-22)9-3-1-2-6-10-17-16(21)14-11-12-7-4-5-8-13(12)18-14/h4-5,7-8,11,18,22H,1-3,6,9-10H2,(H,17,21)(H,19,20)
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n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220818
PNG
(CHEMBL56344)
Show SMILES COc1ccc2oc(cc2c1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C17H22N2O5/c1-23-13-7-8-14-12(10-13)11-15(24-14)17(21)18-9-5-3-2-4-6-16(20)19-22/h7-8,10-11,22H,2-6,9H2,1H3,(H,18,21)(H,19,20)
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n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220789
PNG
(CHEMBL54172)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cc2cc(OC(F)(F)F)ccc2[nH]1
Show InChI InChI=1S/C17H20F3N3O4/c18-17(19,20)27-12-6-7-13-11(9-12)10-14(22-13)16(25)21-8-4-2-1-3-5-15(24)23-26/h6-7,9-10,22,26H,1-5,8H2,(H,21,25)(H,23,24)
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n/an/a 16n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220792
PNG
(CHEMBL59317)
Show SMILES COc1cccc2cc(oc12)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C17H22N2O5/c1-23-13-8-6-7-12-11-14(24-16(12)13)17(21)18-10-5-3-2-4-9-15(20)19-22/h6-8,11,22H,2-5,9-10H2,1H3,(H,18,21)(H,19,20)
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n/an/a 17n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220798
PNG
(CHEMBL57033)
Show SMILES ONC(=O)CCCCCNC(=O)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C15H19N3O3/c19-14(18-21)4-2-1-3-8-17-15(20)12-5-6-13-11(10-12)7-9-16-13/h5-7,9-10,16,21H,1-4,8H2,(H,17,20)(H,18,19)
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n/an/a 17n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220803
PNG
(CHEMBL56699)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cn(-c2ccc(Br)cc2)c2ccccc12
Show InChI InChI=1S/C22H24BrN3O3/c23-16-10-12-17(13-11-16)26-15-19(18-7-4-5-8-20(18)26)22(28)24-14-6-2-1-3-9-21(27)25-29/h4-5,7-8,10-13,15,29H,1-3,6,9,14H2,(H,24,28)(H,25,27)
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n/an/a 19n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220816
PNG
(CHEMBL56012)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cc2ccccc2o1
Show InChI InChI=1S/C16H20N2O4/c19-15(18-21)9-3-1-2-6-10-17-16(20)14-11-12-7-4-5-8-13(12)22-14/h4-5,7-8,11,21H,1-3,6,9-10H2,(H,17,20)(H,18,19)
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n/an/a 30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220799
PNG
(CHEMBL55499)
Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C16H21N3O3/c20-15(19-22)5-3-1-2-4-9-18-16(21)13-6-7-14-12(11-13)8-10-17-14/h6-8,10-11,17,22H,1-5,9H2,(H,18,21)(H,19,20)
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n/an/a 31n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220821
PNG
(CHEMBL57032)
Show SMILES ONC(=O)CCCCCNC(=O)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C15H19N3O3/c19-14(18-21)4-2-1-3-8-17-15(20)12-6-5-11-7-9-16-13(11)10-12/h5-7,9-10,16,21H,1-4,8H2,(H,17,20)(H,18,19)
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n/an/a 36n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220796
PNG
(CHEMBL294464)
Show SMILES ONC(=O)CCCCCCNC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C16H21N3O3/c20-15(19-22)9-3-1-2-6-10-17-16(21)13-11-18-14-8-5-4-7-12(13)14/h4-5,7-8,11,18,22H,1-3,6,9-10H2,(H,17,21)(H,19,20)
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n/an/a 38n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220809
PNG
(CHEMBL52518)
Show SMILES ONC(=O)CCCCCNC(=O)c1cccc2cc[nH]c12
Show InChI InChI=1S/C15H19N3O3/c19-13(18-21)7-2-1-3-9-17-15(20)12-6-4-5-11-8-10-16-14(11)12/h4-6,8,10,16,21H,1-3,7,9H2,(H,17,20)(H,18,19)
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n/an/a 38n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220800
PNG
(CHEMBL55864)
Show SMILES ONC(=O)CCCCCNC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C15H19N3O3/c19-14(18-21)8-2-1-5-9-16-15(20)12-10-17-13-7-4-3-6-11(12)13/h3-4,6-7,10,17,21H,1-2,5,8-9H2,(H,16,20)(H,18,19)
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n/an/a 40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220797
PNG
(CHEMBL55728)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cccc2cc[nH]c12
Show InChI InChI=1S/C16H21N3O3/c20-14(19-22)8-3-1-2-4-10-18-16(21)13-7-5-6-12-9-11-17-15(12)13/h5-7,9,11,17,22H,1-4,8,10H2,(H,18,21)(H,19,20)
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n/an/a 41n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220801
PNG
(CHEMBL53363)
Show SMILES Cn1c(cc2ccccc12)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C17H23N3O3/c1-20-14-9-6-5-8-13(14)12-15(20)17(22)18-11-7-3-2-4-10-16(21)19-23/h5-6,8-9,12,23H,2-4,7,10-11H2,1H3,(H,18,22)(H,19,21)
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n/an/a 47n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220820
PNG
(CHEMBL55611)
Show SMILES Cn1cc(C(=O)NCCCCCCC(=O)NO)c2ccccc12
Show InChI InChI=1S/C17H23N3O3/c1-20-12-14(13-8-5-6-9-15(13)20)17(22)18-11-7-3-2-4-10-16(21)19-23/h5-6,8-9,12,23H,2-4,7,10-11H2,1H3,(H,18,22)(H,19,21)
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n/an/a 56n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220814
PNG
(CHEMBL54867)
Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C16H21N3O3/c20-15(19-22)5-3-1-2-4-9-18-16(21)13-7-6-12-8-10-17-14(12)11-13/h6-8,10-11,17,22H,1-5,9H2,(H,18,21)(H,19,20)
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n/an/a 57n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220790
PNG
(CHEMBL54543)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cccc2[nH]ccc12
Show InChI InChI=1S/C16H21N3O3/c20-15(19-22)8-3-1-2-4-10-18-16(21)13-6-5-7-14-12(13)9-11-17-14/h5-7,9,11,17,22H,1-4,8,10H2,(H,18,21)(H,19,20)
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n/an/a 80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220813
PNG
(CHEMBL53455)
Show SMILES ONC(=O)CCCCCNC(=O)c1cccc2[nH]ccc12
Show InChI InChI=1S/C15H19N3O3/c19-14(18-21)7-2-1-3-9-17-15(20)12-5-4-6-13-11(12)8-10-16-13/h4-6,8,10,16,21H,1-3,7,9H2,(H,17,20)(H,18,19)
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n/an/a 88n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(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 143n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HDACs


(Homo sapiens (human))
BDBM50220812
PNG
(CHEMBL55234)
Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc[nH]1
Show InChI InChI=1S/C12H19N3O3/c16-11(15-18)7-3-1-2-4-8-14-12(17)10-6-5-9-13-10/h5-6,9,13,18H,1-4,7-8H2,(H,14,17)(H,15,16)
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n/an/a 524n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220808
PNG
(CHEMBL56770)
Show SMILES CC1C(Cc2ccccc12)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C18H26N2O3/c1-13-15-9-6-5-8-14(15)12-16(13)18(22)19-11-7-3-2-4-10-17(21)20-23/h5-6,8-9,13,16,23H,2-4,7,10-12H2,1H3,(H,19,22)(H,20,21)
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n/an/a 732n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220823
PNG
(CHEMBL57107)
Show SMILES ONC(=O)CCCCCCNC(=O)c1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(16-19)10-6-1-2-7-11-15-14(18)12-8-4-3-5-9-12/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,18)(H,16,17)
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n/an/a 1.01E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220815
PNG
(CHEMBL56040)
Show SMILES ONC(=O)CCCCCCNC(=O)c1ccccn1
Show InChI InChI=1S/C13H19N3O3/c17-12(16-19)8-3-1-2-5-10-15-13(18)11-7-4-6-9-14-11/h4,6-7,9,19H,1-3,5,8,10H2,(H,15,18)(H,16,17)
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n/an/a 1.68E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%