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PubMed code 21696956

Compile Data Set for Download or QSAR

Found 243 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 6


(Homo sapiens (Human))
BDBM50348384
PNG
(CHEMBL1800383)
Show SMILES CCOC(=O)CC(=O)CSc1nc(C)cc(=O)[nH]1
Show InChI InChI=1S/C11H14N2O4S/c1-3-17-10(16)5-8(14)6-18-11-12-7(2)4-9(15)13-11/h4H,3,5-6H2,1-2H3,(H,12,13,15)
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n/an/a 7.20E+3n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50348373
PNG
(CHEMBL1800373)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)n1
Show InChI InChI=1S/C20H17N3O3S/c1-13-11-18(25)23-20(21-13)27-12-17(24)14-7-9-16(10-8-14)22-19(26)15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,22,26)(H,21,23,25)
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n/an/a 1.08E+4n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50348388
PNG
(CHEMBL1800241)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)CSc1nc(C)cc(=O)[nH]1
Show InChI InChI=1S/C15H15N3O3S/c1-9-7-14(21)18-15(16-9)22-8-13(20)11-3-5-12(6-4-11)17-10(2)19/h3-7H,8H2,1-2H3,(H,17,19)(H,16,18,21)
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n/an/a 1.12E+4n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50348393
PNG
(CHEMBL1800246)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)COc1nc(C)cc(=O)[nH]1
Show InChI InChI=1S/C15H15N3O4/c1-9-7-14(21)18-15(16-9)22-8-13(20)11-3-5-12(6-4-11)17-10(2)19/h3-7H,8H2,1-2H3,(H,17,19)(H,16,18,21)
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n/an/a 1.17E+4n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC9 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50348376
PNG
(CHEMBL1800375)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C13H11ClN2O2S/c1-8-6-12(18)16-13(15-8)19-7-11(17)9-2-4-10(14)5-3-9/h2-6H,7H2,1H3,(H,15,16,18)
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n/an/a 1.29E+4n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50348397
PNG
(CHEMBL1800250)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccccc2)n1
Show InChI InChI=1S/C13H12N2O2S/c1-9-7-12(17)15-13(14-9)18-8-11(16)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,15,17)
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n/an/a 1.37E+4n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50348388
PNG
(CHEMBL1800241)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)CSc1nc(C)cc(=O)[nH]1
Show InChI InChI=1S/C15H15N3O3S/c1-9-7-14(21)18-15(16-9)22-8-13(20)11-3-5-12(6-4-11)17-10(2)19/h3-7H,8H2,1-2H3,(H,17,19)(H,16,18,21)
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n/an/a 1.52E+4n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50348388
PNG
(CHEMBL1800241)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)CSc1nc(C)cc(=O)[nH]1
Show InChI InChI=1S/C15H15N3O3S/c1-9-7-14(21)18-15(16-9)22-8-13(20)11-3-5-12(6-4-11)17-10(2)19/h3-7H,8H2,1-2H3,(H,17,19)(H,16,18,21)
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n/an/a 1.64E+4n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50348393
PNG
(CHEMBL1800246)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)COc1nc(C)cc(=O)[nH]1
Show InChI InChI=1S/C15H15N3O4/c1-9-7-14(21)18-15(16-9)22-8-13(20)11-3-5-12(6-4-11)17-10(2)19/h3-7H,8H2,1-2H3,(H,17,19)(H,16,18,21)
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n/an/a 1.67E+4n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC5 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM55151
PNG
(1-(3,4-Dihydroxy-phenyl)-2-(4-hydroxy-6-methyl-pyr...)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc(O)c(O)c2)n1
Show InChI InChI=1S/C13H12N2O4S/c1-7-4-12(19)15-13(14-7)20-6-11(18)8-2-3-9(16)10(17)5-8/h2-5,16-17H,6H2,1H3,(H,14,15,19)
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n/an/a 1.67E+4n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50348388
PNG
(CHEMBL1800241)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)CSc1nc(C)cc(=O)[nH]1
Show InChI InChI=1S/C15H15N3O3S/c1-9-7-14(21)18-15(16-9)22-8-13(20)11-3-5-12(6-4-11)17-10(2)19/h3-7H,8H2,1-2H3,(H,17,19)(H,16,18,21)
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n/an/a 1.89E+4n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50348388
PNG
(CHEMBL1800241)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)CSc1nc(C)cc(=O)[nH]1
Show InChI InChI=1S/C15H15N3O3S/c1-9-7-14(21)18-15(16-9)22-8-13(20)11-3-5-12(6-4-11)17-10(2)19/h3-7H,8H2,1-2H3,(H,17,19)(H,16,18,21)
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n/an/a 2.39E+4n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC8 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50348388
PNG
(CHEMBL1800241)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)CSc1nc(C)cc(=O)[nH]1
Show InChI InChI=1S/C15H15N3O3S/c1-9-7-14(21)18-15(16-9)22-8-13(20)11-3-5-12(6-4-11)17-10(2)19/h3-7H,8H2,1-2H3,(H,17,19)(H,16,18,21)
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n/an/a 2.44E+4n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC7 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50348380
PNG
(CHEMBL1800379)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2cccs2)n1
Show InChI InChI=1S/C11H10N2O2S2/c1-7-5-10(15)13-11(12-7)17-6-8(14)9-3-2-4-16-9/h2-5H,6H2,1H3,(H,12,13,15)
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n/an/a 2.48E+4n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50348388
PNG
(CHEMBL1800241)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)CSc1nc(C)cc(=O)[nH]1
Show InChI InChI=1S/C15H15N3O3S/c1-9-7-14(21)18-15(16-9)22-8-13(20)11-3-5-12(6-4-11)17-10(2)19/h3-7H,8H2,1-2H3,(H,17,19)(H,16,18,21)
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n/an/a 2.79E+4n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC5 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50348393
PNG
(CHEMBL1800246)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)COc1nc(C)cc(=O)[nH]1
Show InChI InChI=1S/C15H15N3O4/c1-9-7-14(21)18-15(16-9)22-8-13(20)11-3-5-12(6-4-11)17-10(2)19/h3-7H,8H2,1-2H3,(H,17,19)(H,16,18,21)
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n/an/a 3.19E+4n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC7 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50348388
PNG
(CHEMBL1800241)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)CSc1nc(C)cc(=O)[nH]1
Show InChI InChI=1S/C15H15N3O3S/c1-9-7-14(21)18-15(16-9)22-8-13(20)11-3-5-12(6-4-11)17-10(2)19/h3-7H,8H2,1-2H3,(H,17,19)(H,16,18,21)
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n/an/a 3.25E+4n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC4 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50348379
PNG
(CHEMBL1800378)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc3CC(=O)Nc3c2)n1
Show InChI InChI=1S/C15H13N3O3S/c1-8-4-13(20)18-15(16-8)22-7-12(19)10-3-2-9-6-14(21)17-11(9)5-10/h2-5H,6-7H2,1H3,(H,17,21)(H,16,18,20)
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n/an/a 3.26E+4n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50348384
PNG
(CHEMBL1800383)
Show SMILES CCOC(=O)CC(=O)CSc1nc(C)cc(=O)[nH]1
Show InChI InChI=1S/C11H14N2O4S/c1-3-17-10(16)5-8(14)6-18-11-12-7(2)4-9(15)13-11/h4H,3,5-6H2,1-2H3,(H,12,13,15)
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n/an/a 4.00E+4n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50348377
PNG
(CHEMBL1800376)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc(O)cc2)n1
Show InChI InChI=1S/C13H12N2O3S/c1-8-6-12(18)15-13(14-8)19-7-11(17)9-2-4-10(16)5-3-9/h2-6,16H,7H2,1H3,(H,14,15,18)
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n/an/a 4.01E+4n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50348384
PNG
(CHEMBL1800383)
Show SMILES CCOC(=O)CC(=O)CSc1nc(C)cc(=O)[nH]1
Show InChI InChI=1S/C11H14N2O4S/c1-3-17-10(16)5-8(14)6-18-11-12-7(2)4-9(15)13-11/h4H,3,5-6H2,1-2H3,(H,12,13,15)
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n/an/a 4.86E+4n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC5 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50348393
PNG
(CHEMBL1800246)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)COc1nc(C)cc(=O)[nH]1
Show InChI InChI=1S/C15H15N3O4/c1-9-7-14(21)18-15(16-9)22-8-13(20)11-3-5-12(6-4-11)17-10(2)19/h3-7H,8H2,1-2H3,(H,17,19)(H,16,18,21)
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n/an/a 5.42E+4n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC4 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50348374
PNG
(CHEMBL1307946)
Show SMILES COc1ccc(cc1)C(=O)CSc1nc(C)cc(=O)[nH]1
Show InChI InChI=1S/C14H14N2O3S/c1-9-7-13(18)16-14(15-9)20-8-12(17)10-3-5-11(19-2)6-4-10/h3-7H,8H2,1-2H3,(H,15,16,18)
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n/an/a 6.09E+4n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50348376
PNG
(CHEMBL1800375)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C13H11ClN2O2S/c1-8-6-12(18)16-13(15-8)19-7-11(17)9-2-4-10(14)5-3-9/h2-6H,7H2,1H3,(H,15,16,18)
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n/an/a 6.70E+4n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50348384
PNG
(CHEMBL1800383)
Show SMILES CCOC(=O)CC(=O)CSc1nc(C)cc(=O)[nH]1
Show InChI InChI=1S/C11H14N2O4S/c1-3-17-10(16)5-8(14)6-18-11-12-7(2)4-9(15)13-11/h4H,3,5-6H2,1-2H3,(H,12,13,15)
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n/an/a 6.93E+4n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50348388
PNG
(CHEMBL1800241)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)CSc1nc(C)cc(=O)[nH]1
Show InChI InChI=1S/C15H15N3O3S/c1-9-7-14(21)18-15(16-9)22-8-13(20)11-3-5-12(6-4-11)17-10(2)19/h3-7H,8H2,1-2H3,(H,17,19)(H,16,18,21)
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n/an/a 7.41E+4n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC9 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50348384
PNG
(CHEMBL1800383)
Show SMILES CCOC(=O)CC(=O)CSc1nc(C)cc(=O)[nH]1
Show InChI InChI=1S/C11H14N2O4S/c1-3-17-10(16)5-8(14)6-18-11-12-7(2)4-9(15)13-11/h4H,3,5-6H2,1-2H3,(H,12,13,15)
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n/an/a 7.72E+4n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50348376
PNG
(CHEMBL1800375)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C13H11ClN2O2S/c1-8-6-12(18)16-13(15-8)19-7-11(17)9-2-4-10(14)5-3-9/h2-6H,7H2,1H3,(H,15,16,18)
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n/an/a 8.23E+4n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50348376
PNG
(CHEMBL1800375)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C13H11ClN2O2S/c1-8-6-12(18)16-13(15-8)19-7-11(17)9-2-4-10(14)5-3-9/h2-6H,7H2,1H3,(H,15,16,18)
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n/an/a 8.64E+4n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50348393
PNG
(CHEMBL1800246)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)COc1nc(C)cc(=O)[nH]1
Show InChI InChI=1S/C15H15N3O4/c1-9-7-14(21)18-15(16-9)22-8-13(20)11-3-5-12(6-4-11)17-10(2)19/h3-7H,8H2,1-2H3,(H,17,19)(H,16,18,21)
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n/an/a 8.80E+4n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50348375
PNG
(CHEMBL1800374)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc(cc2)C(C)(C)C)n1
Show InChI InChI=1S/C17H20N2O2S/c1-11-9-15(21)19-16(18-11)22-10-14(20)12-5-7-13(8-6-12)17(2,3)4/h5-9H,10H2,1-4H3,(H,18,19,21)
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n/an/a 9.43E+4n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC5 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50348379
PNG
(CHEMBL1800378)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc3CC(=O)Nc3c2)n1
Show InChI InChI=1S/C15H13N3O3S/c1-8-4-13(20)18-15(16-8)22-7-12(19)10-3-2-9-6-14(21)17-11(9)5-10/h2-5H,6-7H2,1H3,(H,17,21)(H,16,18,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC5 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50348396
PNG
(CHEMBL1800249)
Show SMILES CC(=O)Nc1ccc(cc1)C(O)CSc1nc(C)cc(=O)[nH]1
Show InChI InChI=1S/C15H17N3O3S/c1-9-7-14(21)18-15(16-9)22-8-13(20)11-3-5-12(6-4-11)17-10(2)19/h3-7,13,20H,8H2,1-2H3,(H,17,19)(H,16,18,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC5 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50348377
PNG
(CHEMBL1800376)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc(O)cc2)n1
Show InChI InChI=1S/C13H12N2O3S/c1-8-6-12(18)15-13(14-8)19-7-11(17)9-2-4-10(16)5-3-9/h2-6,16H,7H2,1H3,(H,14,15,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC4 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50348379
PNG
(CHEMBL1800378)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc3CC(=O)Nc3c2)n1
Show InChI InChI=1S/C15H13N3O3S/c1-8-4-13(20)18-15(16-8)22-7-12(19)10-3-2-9-6-14(21)17-11(9)5-10/h2-5H,6-7H2,1H3,(H,17,21)(H,16,18,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC4 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50348381
PNG
(CHEMBL1800380)
Show SMILES COC(=O)CSc1nc(C)cc(=O)[nH]1
Show InChI InChI=1S/C8H10N2O3S/c1-5-3-6(11)10-8(9-5)14-4-7(12)13-2/h3H,4H2,1-2H3,(H,9,10,11)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC4 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50348372
PNG
(CHEMBL1800251)
Show SMILES CN(C(C)=O)c1ccc(cc1)C(=O)CSc1nc(C)cc(=O)[nH]1
Show InChI InChI=1S/C16H17N3O3S/c1-10-8-15(22)18-16(17-10)23-9-14(21)12-4-6-13(7-5-12)19(3)11(2)20/h4-8H,9H2,1-3H3,(H,17,18,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC7 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50348395
PNG
(CHEMBL1800248)
Show SMILES CC(=O)Nc1ccc(CSc2nc(C)cc(=O)[nH]2)cc1
Show InChI InChI=1S/C14H15N3O2S/c1-9-7-13(19)17-14(15-9)20-8-11-3-5-12(6-4-11)16-10(2)18/h3-7H,8H2,1-2H3,(H,16,18)(H,15,17,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC8 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50348396
PNG
(CHEMBL1800249)
Show SMILES CC(=O)Nc1ccc(cc1)C(O)CSc1nc(C)cc(=O)[nH]1
Show InChI InChI=1S/C15H17N3O3S/c1-9-7-14(21)18-15(16-9)22-8-13(20)11-3-5-12(6-4-11)17-10(2)19/h3-7,13,20H,8H2,1-2H3,(H,17,19)(H,16,18,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC8 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50348376
PNG
(CHEMBL1800375)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C13H11ClN2O2S/c1-8-6-12(18)16-13(15-8)19-7-11(17)9-2-4-10(14)5-3-9/h2-6H,7H2,1H3,(H,15,16,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC8 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50348379
PNG
(CHEMBL1800378)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc3CC(=O)Nc3c2)n1
Show InChI InChI=1S/C15H13N3O3S/c1-8-4-13(20)18-15(16-8)22-7-12(19)10-3-2-9-6-14(21)17-11(9)5-10/h2-5H,6-7H2,1H3,(H,17,21)(H,16,18,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC8 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50348385
PNG
(CHEMBL1800384)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)NCCCCc2ccccc2)n1
Show InChI InChI=1S/C17H21N3O2S/c1-13-11-15(21)20-17(19-13)23-12-16(22)18-10-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,11H,5-6,9-10,12H2,1H3,(H,18,22)(H,19,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC8 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50348392
PNG
(CHEMBL1800245)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)CSc1cccc(O)c1
Show InChI InChI=1S/C16H15NO3S/c1-11(18)17-13-7-5-12(6-8-13)16(20)10-21-15-4-2-3-14(19)9-15/h2-9,19H,10H2,1H3,(H,17,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50348394
PNG
(CHEMBL1800247)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)COc1cc(C)cc(=O)[nH]1
Show InChI InChI=1S/C16H16N2O4/c1-10-7-15(21)18-16(8-10)22-9-14(20)12-3-5-13(6-4-12)17-11(2)19/h3-8H,9H2,1-2H3,(H,17,19)(H,18,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50348387
PNG
(CHEMBL1800385)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)NCCCCCCc2ccccc2)n1
Show InChI InChI=1S/C19H25N3O2S/c1-15-13-17(23)22-19(21-15)25-14-18(24)20-12-8-3-2-5-9-16-10-6-4-7-11-16/h4,6-7,10-11,13H,2-3,5,8-9,12,14H2,1H3,(H,20,24)(H,21,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50348390
PNG
(CHEMBL1800243)
Show SMILES COc1cc(C)nc(SCC(=O)c2ccc(NC(C)=O)cc2)n1
Show InChI InChI=1S/C16H17N3O3S/c1-10-8-15(22-3)19-16(17-10)23-9-14(21)12-4-6-13(7-5-12)18-11(2)20/h4-8H,9H2,1-3H3,(H,18,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50348392
PNG
(CHEMBL1800245)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)CSc1cccc(O)c1
Show InChI InChI=1S/C16H15NO3S/c1-11(18)17-13-7-5-12(6-8-13)16(20)10-21-15-4-2-3-14(19)9-15/h2-9,19H,10H2,1H3,(H,17,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50348397
PNG
(CHEMBL1800250)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccccc2)n1
Show InChI InChI=1S/C13H12N2O2S/c1-9-7-12(17)15-13(14-9)18-8-11(16)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,15,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50348375
PNG
(CHEMBL1800374)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc(cc2)C(C)(C)C)n1
Show InChI InChI=1S/C17H20N2O2S/c1-11-9-15(21)19-16(18-11)22-10-14(20)12-5-7-13(8-6-12)17(2,3)4/h5-9H,10H2,1-4H3,(H,18,19,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50348387
PNG
(CHEMBL1800385)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)NCCCCCCc2ccccc2)n1
Show InChI InChI=1S/C19H25N3O2S/c1-15-13-17(23)22-19(21-15)25-14-18(24)20-12-8-3-2-5-9-16-10-6-4-7-11-16/h4,6-7,10-11,13H,2-3,5,8-9,12,14H2,1H3,(H,20,24)(H,21,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC5 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay


Bioorg Med Chem Lett 21: 4164-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.098
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%