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PubMed code 25218912

Compile data set for download or QSAR
Found 103 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 3


(Homo sapiens (Human))
BDBM50026429
PNG
(CHEMBL3335299)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(Nc3ccccc3)cc2)n1
Show InChI InChI=1S/C21H24N4O2/c26-21(24-27)9-5-4-8-20-14-15-25(23-20)16-17-10-12-19(13-11-17)22-18-6-2-1-3-7-18/h1-3,6-7,10-15,22,27H,4-5,8-9,16H2,(H,24,26)
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n/an/a 13n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50026429
PNG
(CHEMBL3335299)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(Nc3ccccc3)cc2)n1
Show InChI InChI=1S/C21H24N4O2/c26-21(24-27)9-5-4-8-20-14-15-25(23-20)16-17-10-12-19(13-11-17)22-18-6-2-1-3-7-18/h1-3,6-7,10-15,22,27H,4-5,8-9,16H2,(H,24,26)
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n/an/a 25n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC10 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50026431
PNG
(CHEMBL3335300)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)9-5-4-8-20-14-15-24(22-20)16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-3,6-7,10-15,26H,4-5,8-9,16H2,(H,23,25)
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n/an/a 29n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC10 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50026431
PNG
(CHEMBL3335300)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)9-5-4-8-20-14-15-24(22-20)16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-3,6-7,10-15,26H,4-5,8-9,16H2,(H,23,25)
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n/an/a 30n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026431
PNG
(CHEMBL3335300)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)9-5-4-8-20-14-15-24(22-20)16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-3,6-7,10-15,26H,4-5,8-9,16H2,(H,23,25)
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n/an/a 33n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50026431
PNG
(CHEMBL3335300)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)9-5-4-8-20-14-15-24(22-20)16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-3,6-7,10-15,26H,4-5,8-9,16H2,(H,23,25)
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n/an/a 34n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026429
PNG
(CHEMBL3335299)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(Nc3ccccc3)cc2)n1
Show InChI InChI=1S/C21H24N4O2/c26-21(24-27)9-5-4-8-20-14-15-25(23-20)16-17-10-12-19(13-11-17)22-18-6-2-1-3-7-18/h1-3,6-7,10-15,22,27H,4-5,8-9,16H2,(H,24,26)
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n/an/a 35n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
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 35n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026448
PNG
(CHEMBL3335284)
Show SMILES ONC(=O)CCCCc1ccnn1Cc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)12-5-4-11-20-13-14-22-24(20)16-17-7-6-10-19(15-17)18-8-2-1-3-9-18/h1-3,6-10,13-15,26H,4-5,11-12,16H2,(H,23,25)
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n/an/a 35n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026459
PNG
(CHEMBL3335307)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc3ccccc3c2)n1
Show InChI InChI=1S/C19H21N3O2/c23-19(21-24)8-4-3-7-18-11-12-22(20-18)14-15-9-10-16-5-1-2-6-17(16)13-15/h1-2,5-6,9-13,24H,3-4,7-8,14H2,(H,21,23)
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n/an/a 43n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50026430
PNG
(CHEMBL3335288)
Show SMILES ONC(=O)CCCCc1ccn(n1)-c1ccccc1
Show InChI InChI=1S/C14H17N3O2/c18-14(16-19)9-5-4-6-12-10-11-17(15-12)13-7-2-1-3-8-13/h1-3,7-8,10-11,19H,4-6,9H2,(H,16,18)
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n/an/a 64n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026450
PNG
(CHEMBL3335283)
Show SMILES ONC(=O)CCCCc1ccn(Cc2cccc(c2)-c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)12-5-4-11-20-13-14-24(22-20)16-17-7-6-10-19(15-17)18-8-2-1-3-9-18/h1-3,6-10,13-15,26H,4-5,11-12,16H2,(H,23,25)
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n/an/a 64n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50026429
PNG
(CHEMBL3335299)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(Nc3ccccc3)cc2)n1
Show InChI InChI=1S/C21H24N4O2/c26-21(24-27)9-5-4-8-20-14-15-25(23-20)16-17-10-12-19(13-11-17)22-18-6-2-1-3-7-18/h1-3,6-7,10-15,22,27H,4-5,8-9,16H2,(H,24,26)
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n/an/a 65n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026435
PNG
(CHEMBL3335296)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(OCc3ccccc3)cc2)n1
Show InChI InChI=1S/C22H25N3O3/c26-22(24-27)9-5-4-8-20-14-15-25(23-20)16-18-10-12-21(13-11-18)28-17-19-6-2-1-3-7-19/h1-3,6-7,10-15,27H,4-5,8-9,16-17H2,(H,24,26)
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n/an/a 67n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50026450
PNG
(CHEMBL3335283)
Show SMILES ONC(=O)CCCCc1ccn(Cc2cccc(c2)-c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)12-5-4-11-20-13-14-24(22-20)16-17-7-6-10-19(15-17)18-8-2-1-3-9-18/h1-3,6-10,13-15,26H,4-5,11-12,16H2,(H,23,25)
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n/an/a 68n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026456
PNG
(CHEMBL3335304)
Show SMILES ONC(=O)CCCCc1ccn(Cc2cccc(Br)c2)n1
Show InChI InChI=1S/C15H18BrN3O2/c16-13-5-3-4-12(10-13)11-19-9-8-14(17-19)6-1-2-7-15(20)18-21/h3-5,8-10,21H,1-2,6-7,11H2,(H,18,20)
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n/an/a 68n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026433
PNG
(CHEMBL3335298)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(cc2)-n2ccc3ccccc23)n1
Show InChI InChI=1S/C23H24N4O2/c28-23(25-29)8-4-2-6-20-14-15-26(24-20)17-18-9-11-21(12-10-18)27-16-13-19-5-1-3-7-22(19)27/h1,3,5,7,9-16,29H,2,4,6,8,17H2,(H,25,28)
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n/an/a 75n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026434
PNG
(CHEMBL3335297)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(Oc3ccccc3)cc2)n1
Show InChI InChI=1S/C21H23N3O3/c25-21(23-26)9-5-4-6-18-14-15-24(22-18)16-17-10-12-20(13-11-17)27-19-7-2-1-3-8-19/h1-3,7-8,10-15,26H,4-6,9,16H2,(H,23,25)
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n/an/a 86n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50026450
PNG
(CHEMBL3335283)
Show SMILES ONC(=O)CCCCc1ccn(Cc2cccc(c2)-c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)12-5-4-11-20-13-14-24(22-20)16-17-7-6-10-19(15-17)18-8-2-1-3-9-18/h1-3,6-10,13-15,26H,4-5,11-12,16H2,(H,23,25)
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n/an/a 94n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC10 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026454
PNG
(CHEMBL2381733)
Show SMILES ONC(=O)CCCCc1cn(Cc2cccc(c2)-c2ccccc2)nn1
Show InChI InChI=1S/C20H22N4O2/c25-20(22-26)12-5-4-11-19-15-24(23-21-19)14-16-7-6-10-18(13-16)17-8-2-1-3-9-17/h1-3,6-10,13,15,26H,4-5,11-12,14H2,(H,22,25)
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n/an/a 112n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026457
PNG
(CHEMBL3335305)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(F)c(Cl)c2)n1
Show InChI InChI=1S/C15H17ClFN3O2/c16-13-9-11(5-6-14(13)17)10-20-8-7-12(18-20)3-1-2-4-15(21)19-22/h5-9,22H,1-4,10H2,(H,19,21)
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n/an/a 116n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
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 131n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50026433
PNG
(CHEMBL3335298)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(cc2)-n2ccc3ccccc23)n1
Show InChI InChI=1S/C23H24N4O2/c28-23(25-29)8-4-2-6-20-14-15-26(24-20)17-18-9-11-21(12-10-18)27-16-13-19-5-1-3-7-22(19)27/h1,3,5,7,9-16,29H,2,4,6,8,17H2,(H,25,28)
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n/an/a 136n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC10 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026432
PNG
(CHEMBL3335301)
Show SMILES ONC(=O)CCCCc1ccn(Cc2cccc(Nc3ccccc3)c2)n1
Show InChI InChI=1S/C21H24N4O2/c26-21(24-27)12-5-4-10-19-13-14-25(23-19)16-17-7-6-11-20(15-17)22-18-8-2-1-3-9-18/h1-3,6-9,11,13-15,22,27H,4-5,10,12,16H2,(H,24,26)
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n/an/a 145n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50026433
PNG
(CHEMBL3335298)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(cc2)-n2ccc3ccccc23)n1
Show InChI InChI=1S/C23H24N4O2/c28-23(25-29)8-4-2-6-20-14-15-26(24-20)17-18-9-11-21(12-10-18)27-16-13-19-5-1-3-7-22(19)27/h1,3,5,7,9-16,29H,2,4,6,8,17H2,(H,25,28)
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n/an/a 158n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
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 182n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 3


(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 182n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026453
PNG
(CHEMBL3335280)
Show SMILES ONC(=O)CCCCc1cccn1Cc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C22H24N2O2/c25-22(23-26)14-5-4-12-21-13-7-15-24(21)17-18-8-6-11-20(16-18)19-9-2-1-3-10-19/h1-3,6-11,13,15-16,26H,4-5,12,14,17H2,(H,23,25)
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n/an/a 191n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026458
PNG
(CHEMBL3335306)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc3OCOc3c2)n1
Show InChI InChI=1S/C16H19N3O4/c20-16(18-21)4-2-1-3-13-7-8-19(17-13)10-12-5-6-14-15(9-12)23-11-22-14/h5-9,21H,1-4,10-11H2,(H,18,20)
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n/an/a 195n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026440
PNG
(CHEMBL3335293)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C16H18F3N3O2/c17-16(18,19)13-7-5-12(6-8-13)11-22-10-9-14(20-22)3-1-2-4-15(23)21-24/h5-10,24H,1-4,11H2,(H,21,23)
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n/an/a 197n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026463
PNG
(CHEMBL3335310)
Show SMILES ONC(=O)CCCCc1cn(Cc2ccccc2)nc1-c1ccccc1
Show InChI InChI=1S/C21H23N3O2/c25-20(23-26)14-8-7-13-19-16-24(15-17-9-3-1-4-10-17)22-21(19)18-11-5-2-6-12-18/h1-6,9-12,16,26H,7-8,13-15H2,(H,23,25)
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n/an/a 202n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50026429
PNG
(CHEMBL3335299)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(Nc3ccccc3)cc2)n1
Show InChI InChI=1S/C21H24N4O2/c26-21(24-27)9-5-4-8-20-14-15-25(23-20)16-17-10-12-19(13-11-17)22-18-6-2-1-3-7-18/h1-3,6-7,10-15,22,27H,4-5,8-9,16H2,(H,24,26)
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n/an/a 204n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026442
PNG
(CHEMBL3335291)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(Br)cc2)n1
Show InChI InChI=1S/C15H18BrN3O2/c16-13-7-5-12(6-8-13)11-19-10-9-14(17-19)3-1-2-4-15(20)18-21/h5-10,21H,1-4,11H2,(H,18,20)
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n/an/a 218n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50026431
PNG
(CHEMBL3335300)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)9-5-4-8-20-14-15-24(22-20)16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-3,6-7,10-15,26H,4-5,8-9,16H2,(H,23,25)
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n/an/a 226n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026466
PNG
(CHEMBL3335311)
Show SMILES ONC(=O)CCCCCc1ccn(Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C22H25N3O2/c26-22(24-27)10-6-2-5-9-21-15-16-25(23-21)17-18-11-13-20(14-12-18)19-7-3-1-4-8-19/h1,3-4,7-8,11-16,27H,2,5-6,9-10,17H2,(H,24,26)
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n/an/a 227n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026555
PNG
(CHEMBL3335312)
Show SMILES ONC(=O)CCCCCCc1ccn(Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C23H27N3O2/c27-23(25-28)11-7-2-1-6-10-22-16-17-26(24-22)18-19-12-14-21(15-13-19)20-8-4-3-5-9-20/h3-5,8-9,12-17,28H,1-2,6-7,10-11,18H2,(H,25,27)
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n/an/a 233n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026441
PNG
(CHEMBL3335292)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(cc2)[N+]([O-])=O)n1
Show InChI InChI=1S/C15H18N4O4/c20-15(17-21)4-2-1-3-13-9-10-18(16-13)11-12-5-7-14(8-6-12)19(22)23/h5-10,21H,1-4,11H2,(H,17,20)
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n/an/a 242n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50026433
PNG
(CHEMBL3335298)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(cc2)-n2ccc3ccccc23)n1
Show InChI InChI=1S/C23H24N4O2/c28-23(25-29)8-4-2-6-20-14-15-26(24-20)17-18-9-11-21(12-10-18)27-16-13-19-5-1-3-7-22(19)27/h1,3,5,7,9-16,29H,2,4,6,8,17H2,(H,25,28)
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n/an/a 246n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026451
PNG
(CHEMBL3335282)
Show SMILES ONC(=O)CCCCc1cnn(Cc2cccc(c2)-c2ccccc2)c1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)12-5-4-7-18-14-22-24(16-18)15-17-8-6-11-20(13-17)19-9-2-1-3-10-19/h1-3,6,8-11,13-14,16,26H,4-5,7,12,15H2,(H,23,25)
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n/an/a 266n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026436
PNG
(CHEMBL3335295)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(F)cc2)n1
Show InChI InChI=1S/C15H18FN3O2/c16-13-7-5-12(6-8-13)11-19-10-9-14(17-19)3-1-2-4-15(20)18-21/h5-10,21H,1-4,11H2,(H,18,20)
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n/an/a 293n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50026455
PNG
(CHEMBL3335303)
Show SMILES COc1cccc(Cn2ccc(CCCCC(=O)NO)n2)c1
Show InChI InChI=1S/C16H21N3O3/c1-22-15-7-4-5-13(11-15)12-19-10-9-14(17-19)6-2-3-8-16(20)18-21/h4-5,7,9-11,21H,2-3,6,8,12H2,1H3,(H,18,20)
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n/an/a 311n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC7 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026430
PNG
(CHEMBL3335288)
Show SMILES ONC(=O)CCCCc1ccn(n1)-c1ccccc1
Show InChI InChI=1S/C14H17N3O2/c18-14(16-19)9-5-4-6-12-10-11-17(15-12)13-7-2-1-3-8-13/h1-3,7-8,10-11,19H,4-6,9H2,(H,16,18)
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n/an/a 313n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026445
PNG
(CHEMBL3335287)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccccc2)n1
Show InChI InChI=1S/C15H19N3O2/c19-15(17-20)9-5-4-8-14-10-11-18(16-14)12-13-6-2-1-3-7-13/h1-3,6-7,10-11,20H,4-5,8-9,12H2,(H,17,19)
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n/an/a 320n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026443
PNG
(CHEMBL3335290)
Show SMILES Cc1ccc(Cn2ccc(CCCCC(=O)NO)n2)cc1
Show InChI InChI=1S/C16H21N3O2/c1-13-6-8-14(9-7-13)12-19-11-10-15(17-19)4-2-3-5-16(20)18-21/h6-11,21H,2-5,12H2,1H3,(H,18,20)
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n/an/a 323n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026455
PNG
(CHEMBL3335303)
Show SMILES COc1cccc(Cn2ccc(CCCCC(=O)NO)n2)c1
Show InChI InChI=1S/C16H21N3O3/c1-22-15-7-4-5-13(11-15)12-19-10-9-14(17-19)6-2-3-8-16(20)18-21/h4-5,7,9-11,21H,2-3,6,8,12H2,1H3,(H,18,20)
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n/an/a 342n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50026436
PNG
(CHEMBL3335295)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(F)cc2)n1
Show InChI InChI=1S/C15H18FN3O2/c16-13-7-5-12(6-8-13)11-19-10-9-14(17-19)3-1-2-4-15(20)18-21/h5-10,21H,1-4,11H2,(H,18,20)
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n/an/a 355n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC7 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50026458
PNG
(CHEMBL3335306)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc3OCOc3c2)n1
Show InChI InChI=1S/C16H19N3O4/c20-16(18-21)4-2-1-3-13-7-8-19(17-13)10-12-5-6-14-15(9-12)23-11-22-14/h5-9,21H,1-4,10-11H2,(H,18,20)
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n/an/a 360n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC7 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50026430
PNG
(CHEMBL3335288)
Show SMILES ONC(=O)CCCCc1ccn(n1)-c1ccccc1
Show InChI InChI=1S/C14H17N3O2/c18-14(16-19)9-5-4-6-12-10-11-17(15-12)13-7-2-1-3-8-13/h1-3,7-8,10-11,19H,4-6,9H2,(H,16,18)
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n/an/a 367n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026452
PNG
(CHEMBL3335281)
Show SMILES ONC(=O)CCCCc1nccn1Cc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)12-5-4-11-20-22-13-14-24(20)16-17-7-6-10-19(15-17)18-8-2-1-3-9-18/h1-3,6-10,13-15,26H,4-5,11-12,16H2,(H,23,25)
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n/an/a 367n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026439
PNG
(CHEMBL3335294)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C19H26N4O3/c24-19(21-25)4-2-1-3-17-9-10-23(20-17)15-16-5-7-18(8-6-16)22-11-13-26-14-12-22/h5-10,25H,1-4,11-15H2,(H,21,24)
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n/an/a 376n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50026450
PNG
(CHEMBL3335283)
Show SMILES ONC(=O)CCCCc1ccn(Cc2cccc(c2)-c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)12-5-4-11-20-13-14-24(22-20)16-17-7-6-10-19(15-17)18-8-2-1-3-9-18/h1-3,6-10,13-15,26H,4-5,11-12,16H2,(H,23,25)
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n/an/a 397n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50026463
PNG
(CHEMBL3335310)
Show SMILES ONC(=O)CCCCc1cn(Cc2ccccc2)nc1-c1ccccc1
Show InChI InChI=1S/C21H23N3O2/c25-20(23-26)14-8-7-13-19-16-24(15-17-9-3-1-4-10-17)22-21(19)18-11-5-2-6-12-18/h1-6,9-12,16,26H,7-8,13-15H2,(H,23,25)
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n/an/a 487n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC7 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50026462
PNG
(CHEMBL3335309)
Show SMILES Cc1cn(Cc2ccccc2)nc1CCCCC(=O)NO
Show InChI InChI=1S/C16H21N3O2/c1-13-11-19(12-14-7-3-2-4-8-14)17-15(13)9-5-6-10-16(20)18-21/h2-4,7-8,11,21H,5-6,9-10,12H2,1H3,(H,18,20)
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n/an/a 530n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC7 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026460
PNG
(CHEMBL3335308)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(F)cc2F)n1
Show InChI InChI=1S/C15H17F2N3O2/c16-12-6-5-11(14(17)9-12)10-20-8-7-13(18-20)3-1-2-4-15(21)19-22/h5-9,22H,1-4,10H2,(H,19,21)
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n/an/a 539n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50026433
PNG
(CHEMBL3335298)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(cc2)-n2ccc3ccccc23)n1
Show InChI InChI=1S/C23H24N4O2/c28-23(25-29)8-4-2-6-20-14-15-26(24-20)17-18-9-11-21(12-10-18)27-16-13-19-5-1-3-7-22(19)27/h1,3,5,7,9-16,29H,2,4,6,8,17H2,(H,25,28)
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n/an/a 558n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50026434
PNG
(CHEMBL3335297)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(Oc3ccccc3)cc2)n1
Show InChI InChI=1S/C21H23N3O3/c25-21(23-26)9-5-4-6-18-14-15-24(22-18)16-17-10-12-20(13-11-17)27-19-7-2-1-3-8-19/h1-3,7-8,10-15,26H,4-6,9,16H2,(H,23,25)
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n/an/a 628n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC7 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026462
PNG
(CHEMBL3335309)
Show SMILES Cc1cn(Cc2ccccc2)nc1CCCCC(=O)NO
Show InChI InChI=1S/C16H21N3O2/c1-13-11-19(12-14-7-3-2-4-8-14)17-15(13)9-5-6-10-16(20)18-21/h2-4,7-8,11,21H,5-6,9-10,12H2,1H3,(H,18,20)
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n/an/a 646n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(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 686n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC10 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026576
PNG
(CHEMBL3335302)
Show SMILES ONC(=O)CCCCc1ccn(Cc2cccc(Oc3ccccc3)c2)n1
Show InChI InChI=1S/C21H23N3O3/c25-21(23-26)12-5-4-8-18-13-14-24(22-18)16-17-7-6-11-20(15-17)27-19-9-2-1-3-10-19/h1-3,6-7,9-11,13-15,26H,4-5,8,12,16H2,(H,23,25)
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n/an/a 719n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50026457
PNG
(CHEMBL3335305)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(F)c(Cl)c2)n1
Show InChI InChI=1S/C15H17ClFN3O2/c16-13-9-11(5-6-14(13)17)10-20-8-7-12(18-20)3-1-2-4-15(21)19-22/h5-9,22H,1-4,10H2,(H,19,21)
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n/an/a 770n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC7 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50026430
PNG
(CHEMBL3335288)
Show SMILES ONC(=O)CCCCc1ccn(n1)-c1ccccc1
Show InChI InChI=1S/C14H17N3O2/c18-14(16-19)9-5-4-6-12-10-11-17(15-12)13-7-2-1-3-8-13/h1-3,7-8,10-11,19H,4-6,9H2,(H,16,18)
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n/an/a 774n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC10 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50026439
PNG
(CHEMBL3335294)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C19H26N4O3/c24-19(21-25)4-2-1-3-17-9-10-23(20-17)15-16-5-7-18(8-6-16)22-11-13-26-14-12-22/h5-10,25H,1-4,11-15H2,(H,21,24)
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n/an/a 854n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC7 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50026433
PNG
(CHEMBL3335298)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(cc2)-n2ccc3ccccc23)n1
Show InChI InChI=1S/C23H24N4O2/c28-23(25-29)8-4-2-6-20-14-15-26(24-20)17-18-9-11-21(12-10-18)27-16-13-19-5-1-3-7-22(19)27/h1,3,5,7,9-16,29H,2,4,6,8,17H2,(H,25,28)
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n/an/a 897n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC11 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50026432
PNG
(CHEMBL3335301)
Show SMILES ONC(=O)CCCCc1ccn(Cc2cccc(Nc3ccccc3)c2)n1
Show InChI InChI=1S/C21H24N4O2/c26-21(24-27)12-5-4-10-19-13-14-25(23-19)16-17-7-6-11-20(15-17)22-18-8-2-1-3-9-18/h1-3,6-9,11,13-15,22,27H,4-5,10,12,16H2,(H,24,26)
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n/an/a 960n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC7 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50026429
PNG
(CHEMBL3335299)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(Nc3ccccc3)cc2)n1
Show InChI InChI=1S/C21H24N4O2/c26-21(24-27)9-5-4-8-20-14-15-25(23-20)16-17-10-12-19(13-11-17)22-18-6-2-1-3-7-18/h1-3,6-7,10-15,22,27H,4-5,8-9,16H2,(H,24,26)
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n/an/a 1.02E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026447
PNG
(CHEMBL3335285)
Show SMILES ONC(=O)CCCCc1ncc2-c3ccccc3Cn12
Show InChI InChI=1S/C15H17N3O2/c19-15(17-20)8-4-3-7-14-16-9-13-12-6-2-1-5-11(12)10-18(13)14/h1-2,5-6,9,20H,3-4,7-8,10H2,(H,17,19)
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n/an/a 1.16E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026444
PNG
(CHEMBL3335289)
Show SMILES CC(C)(C)c1ccc(Cn2ccc(CCCCC(=O)NO)n2)cc1
Show InChI InChI=1S/C19H27N3O2/c1-19(2,3)16-10-8-15(9-11-16)14-22-13-12-17(20-22)6-4-5-7-18(23)21-24/h8-13,24H,4-7,14H2,1-3H3,(H,21,23)
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n/an/a 1.31E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50026460
PNG
(CHEMBL3335308)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(F)cc2F)n1
Show InChI InChI=1S/C15H17F2N3O2/c16-12-6-5-11(14(17)9-12)10-20-8-7-13(18-20)3-1-2-4-15(21)19-22/h5-9,22H,1-4,10H2,(H,19,21)
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n/an/a 1.46E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC7 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50026431
PNG
(CHEMBL3335300)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)9-5-4-8-20-14-15-24(22-20)16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-3,6-7,10-15,26H,4-5,8-9,16H2,(H,23,25)
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n/an/a 1.73E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC11 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026446
PNG
(CHEMBL3335286)
Show SMILES ONC(=O)CCCCc1ccc2-c3ccccc3Cn12
Show InChI InChI=1S/C16H18N2O2/c19-16(17-20)8-4-2-6-13-9-10-15-14-7-3-1-5-12(14)11-18(13)15/h1,3,5,7,9-10,20H,2,4,6,8,11H2,(H,17,19)
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n/an/a 1.76E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50026450
PNG
(CHEMBL3335283)
Show SMILES ONC(=O)CCCCc1ccn(Cc2cccc(c2)-c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)12-5-4-11-20-13-14-24(22-20)16-17-7-6-10-19(15-17)18-8-2-1-3-9-18/h1-3,6-10,13-15,26H,4-5,11-12,16H2,(H,23,25)
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n/an/a 2.34E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC11 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 5


(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 2.48E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC5 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026574
PNG
(CHEMBL3335314)
Show SMILES ONC(=O)CCCCCCCCc1ccn(Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C25H31N3O2/c29-25(27-30)13-9-4-2-1-3-8-12-24-18-19-28(26-24)20-21-14-16-23(17-15-21)22-10-6-5-7-11-22/h5-7,10-11,14-19,30H,1-4,8-9,12-13,20H2,(H,27,29)
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n/an/a 2.49E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50026430
PNG
(CHEMBL3335288)
Show SMILES ONC(=O)CCCCc1ccn(n1)-c1ccccc1
Show InChI InChI=1S/C14H17N3O2/c18-14(16-19)9-5-4-6-12-10-11-17(15-12)13-7-2-1-3-8-13/h1-3,7-8,10-11,19H,4-6,9H2,(H,16,18)
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n/an/a 2.52E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026573
PNG
(CHEMBL3335313)
Show SMILES ONC(=O)CCCCCCCc1ccn(Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C24H29N3O2/c28-24(26-29)12-8-3-1-2-7-11-23-17-18-27(25-23)19-20-13-15-22(16-14-20)21-9-5-4-6-10-21/h4-6,9-10,13-18,29H,1-3,7-8,11-12,19H2,(H,26,28)
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n/an/a 2.66E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50026430
PNG
(CHEMBL3335288)
Show SMILES ONC(=O)CCCCc1ccn(n1)-c1ccccc1
Show InChI InChI=1S/C14H17N3O2/c18-14(16-19)9-5-4-6-12-10-11-17(15-12)13-7-2-1-3-8-13/h1-3,7-8,10-11,19H,4-6,9H2,(H,16,18)
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n/an/a 2.75E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50026440
PNG
(CHEMBL3335293)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C16H18F3N3O2/c17-16(18,19)13-7-5-12(6-8-13)11-22-10-9-14(20-22)3-1-2-4-15(23)21-24/h5-10,24H,1-4,11H2,(H,21,23)
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n/an/a 2.92E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC7 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50026450
PNG
(CHEMBL3335283)
Show SMILES ONC(=O)CCCCc1ccn(Cc2cccc(c2)-c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)12-5-4-11-20-13-14-24(22-20)16-17-7-6-10-19(15-17)18-8-2-1-3-9-18/h1-3,6-10,13-15,26H,4-5,11-12,16H2,(H,23,25)
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n/an/a 2.98E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50026429
PNG
(CHEMBL3335299)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(Nc3ccccc3)cc2)n1
Show InChI InChI=1S/C21H24N4O2/c26-21(24-27)9-5-4-8-20-14-15-25(23-20)16-17-10-12-19(13-11-17)22-18-6-2-1-3-7-18/h1-3,6-7,10-15,22,27H,4-5,8-9,16H2,(H,24,26)
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n/an/a 3.54E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC5 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50026459
PNG
(CHEMBL3335307)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc3ccccc3c2)n1
Show InChI InChI=1S/C19H21N3O2/c23-19(21-24)8-4-3-7-18-11-12-22(20-18)14-15-9-10-16-5-1-2-6-17(16)13-15/h1-2,5-6,9-13,24H,3-4,7-8,14H2,(H,21,23)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC7 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50026555
PNG
(CHEMBL3335312)
Show SMILES ONC(=O)CCCCCCc1ccn(Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C23H27N3O2/c27-23(25-28)11-7-2-1-6-10-22-16-17-26(24-22)18-19-12-14-21(15-13-19)20-8-4-3-5-9-20/h3-5,8-9,12-17,28H,1-2,6-7,10-11,18H2,(H,25,27)
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n/an/a 4.49E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC7 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 8


(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 4.89E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50026433
PNG
(CHEMBL3335298)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(cc2)-n2ccc3ccccc23)n1
Show InChI InChI=1S/C23H24N4O2/c28-23(25-29)8-4-2-6-20-14-15-26(24-20)17-18-9-11-21(12-10-18)27-16-13-19-5-1-3-7-22(19)27/h1,3,5,7,9-16,29H,2,4,6,8,17H2,(H,25,28)
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n/an/a 4.92E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50026450
PNG
(CHEMBL3335283)
Show SMILES ONC(=O)CCCCc1ccn(Cc2cccc(c2)-c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)12-5-4-11-20-13-14-24(22-20)16-17-7-6-10-19(15-17)18-8-2-1-3-9-18/h1-3,6-10,13-15,26H,4-5,11-12,16H2,(H,23,25)
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n/an/a 5.22E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50026431
PNG
(CHEMBL3335300)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)9-5-4-8-20-14-15-24(22-20)16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-3,6-7,10-15,26H,4-5,8-9,16H2,(H,23,25)
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n/an/a 5.24E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50026466
PNG
(CHEMBL3335311)
Show SMILES ONC(=O)CCCCCc1ccn(Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C22H25N3O2/c26-22(24-27)10-6-2-5-9-21-15-16-25(23-21)17-18-11-13-20(14-12-18)19-7-3-1-4-8-19/h1,3-4,7-8,11-16,27H,2,5-6,9-10,17H2,(H,24,26)
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n/an/a 5.60E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC7 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 11


(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 5.84E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC11 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50026456
PNG
(CHEMBL3335304)
Show SMILES ONC(=O)CCCCc1ccn(Cc2cccc(Br)c2)n1
Show InChI InChI=1S/C15H18BrN3O2/c16-13-5-3-4-12(10-13)11-19-9-8-14(17-19)6-1-2-7-15(20)18-21/h3-5,8-10,21H,1-2,6-7,11H2,(H,18,20)
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n/an/a 7.68E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC7 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50026448
PNG
(CHEMBL3335284)
Show SMILES ONC(=O)CCCCc1ccnn1Cc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)12-5-4-11-20-13-14-22-24(20)16-17-7-6-10-19(15-17)18-8-2-1-3-9-18/h1-3,6-10,13-15,26H,4-5,11-12,16H2,(H,23,25)
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n/an/a 7.94E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC7 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50026574
PNG
(CHEMBL3335314)
Show SMILES ONC(=O)CCCCCCCCc1ccn(Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C25H31N3O2/c29-25(27-30)13-9-4-2-1-3-8-12-24-18-19-28(26-24)20-21-14-16-23(17-15-21)22-10-6-5-7-11-22/h5-7,10-11,14-19,30H,1-4,8-9,12-13,20H2,(H,27,29)
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n/an/a 7.98E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC7 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50026575
PNG
(CHEMBL3335315)
Show SMILES ONC(=O)CCNC(=O)c1ccn(Cc2ccccc2)n1
Show InChI InChI=1S/C14H16N4O3/c19-13(17-21)6-8-15-14(20)12-7-9-18(16-12)10-11-4-2-1-3-5-11/h1-5,7,9,21H,6,8,10H2,(H,15,20)(H,17,19)
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n/an/a 9.58E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50026430
PNG
(CHEMBL3335288)
Show SMILES ONC(=O)CCCCc1ccn(n1)-c1ccccc1
Show InChI InChI=1S/C14H17N3O2/c18-14(16-19)9-5-4-6-12-10-11-17(15-12)13-7-2-1-3-8-13/h1-3,7-8,10-11,19H,4-6,9H2,(H,16,18)
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n/an/a 9.85E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC5 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50026573
PNG
(CHEMBL3335313)
Show SMILES ONC(=O)CCCCCCCc1ccn(Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C24H29N3O2/c28-24(26-29)12-8-3-1-2-7-11-23-17-18-27(25-23)19-20-13-15-22(16-14-20)21-9-5-4-6-10-21/h4-6,9-10,13-18,29H,1-3,7-8,11-12,19H2,(H,26,28)
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n/an/a 1.27E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC7 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50026429
PNG
(CHEMBL3335299)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(Nc3ccccc3)cc2)n1
Show InChI InChI=1S/C21H24N4O2/c26-21(24-27)9-5-4-8-20-14-15-25(23-20)16-17-10-12-19(13-11-17)22-18-6-2-1-3-7-18/h1-3,6-7,10-15,22,27H,4-5,8-9,16H2,(H,24,26)
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n/an/a 1.83E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC9 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 9


(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 2.28E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC9 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 7


(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 3.89E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC7 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50026431
PNG
(CHEMBL3335300)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)9-5-4-8-20-14-15-24(22-20)16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-3,6-7,10-15,26H,4-5,8-9,16H2,(H,23,25)
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n/an/a 4.72E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC9 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50026450
PNG
(CHEMBL3335283)
Show SMILES ONC(=O)CCCCc1ccn(Cc2cccc(c2)-c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)12-5-4-11-20-13-14-24(22-20)16-17-7-6-10-19(15-17)18-8-2-1-3-9-18/h1-3,6-10,13-15,26H,4-5,11-12,16H2,(H,23,25)
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n/an/a 4.89E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC9 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50026430
PNG
(CHEMBL3335288)
Show SMILES ONC(=O)CCCCc1ccn(n1)-c1ccccc1
Show InChI InChI=1S/C14H17N3O2/c18-14(16-19)9-5-4-6-12-10-11-17(15-12)13-7-2-1-3-8-13/h1-3,7-8,10-11,19H,4-6,9H2,(H,16,18)
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n/an/a 5.58E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC9 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50026429
PNG
(CHEMBL3335299)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(Nc3ccccc3)cc2)n1
Show InChI InChI=1S/C21H24N4O2/c26-21(24-27)9-5-4-8-20-14-15-25(23-20)16-17-10-12-19(13-11-17)22-18-6-2-1-3-7-18/h1-3,6-7,10-15,22,27H,4-5,8-9,16H2,(H,24,26)
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n/an/a 5.63E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50026450
PNG
(CHEMBL3335283)
Show SMILES ONC(=O)CCCCc1ccn(Cc2cccc(c2)-c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)12-5-4-11-20-13-14-24(22-20)16-17-7-6-10-19(15-17)18-8-2-1-3-9-18/h1-3,6-10,13-15,26H,4-5,11-12,16H2,(H,23,25)
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n/an/a 8.15E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50026431
PNG
(CHEMBL3335300)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c25-21(23-26)9-5-4-8-20-14-15-24(22-20)16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-3,6-7,10-15,26H,4-5,8-9,16H2,(H,23,25)
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n/an/a 8.31E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50026433
PNG
(CHEMBL3335298)
Show SMILES ONC(=O)CCCCc1ccn(Cc2ccc(cc2)-n2ccc3ccccc23)n1
Show InChI InChI=1S/C23H24N4O2/c28-23(25-29)8-4-2-6-20-14-15-26(24-20)17-18-9-11-21(12-10-18)27-16-13-19-5-1-3-7-22(19)27/h1,3,5,7,9-16,29H,2,4,6,8,17H2,(H,25,28)
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n/an/a 8.64E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4 after 60 mins by fluorimetric assay


Eur J Med Chem 86: 639-52 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.024
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%