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7 similar compounds to monomer 55151

Compile data set for download or QSAR
Wt: 302.3
BDBM40849
Purchase
Wt: 304.3
BDBM64099
Wt: 316.4
BDBM50348375
Purchase
Wt: 318.3
BDBM50348378
Wt: 290.3
BDBM50348374
Purchase
Wt: 276.3
BDBM50348377
Wt: 260.3
BDBM50348397
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 47 hits for monomerid = 40849,64099,50348375,50348378,50348374,50348377,50348397   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Complement C1s


(Homo sapiens (Human))
BDBM40849
PNG
(2-[(2-keto-2-p-cumenyl-ethyl)thio]-6-methyl-1H-pyr...)
Show SMILES CC(C)c1ccc(cc1)C(=O)CSc1nc(C)cc(=O)[nH]1
Show InChI InChI=1S/C16H18N2O2S/c1-10(2)12-4-6-13(7-5-12)14(19)9-21-16-17-11(3)8-15(20)18-16/h4-8,10H,9H2,1-3H3,(H,17,18,20)
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PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair
Histone deacetylase 8


(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 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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50348378
PNG
(CHEMBL1800377)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc3OCCOc3c2)n1
Show InChI InChI=1S/C15H14N2O4S/c1-9-6-14(19)17-15(16-9)22-8-11(18)10-2-3-12-13(7-10)21-5-4-20-12/h2-3,6-7H,4-5,8H2,1H3,(H,16,17,19)
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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 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
BindingDB Entry DOI: 10.7270/Q20P10CT
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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 5


(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 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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 5


(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 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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 5


(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>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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 4


(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>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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 4


(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 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
BindingDB Entry DOI: 10.7270/Q20P10CT
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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50348378
PNG
(CHEMBL1800377)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc3OCCOc3c2)n1
Show InChI InChI=1S/C15H14N2O4S/c1-9-6-14(19)17-15(16-9)22-8-11(18)10-2-3-12-13(7-10)21-5-4-20-12/h2-3,6-7H,4-5,8H2,1H3,(H,16,17,19)
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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 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
BindingDB Entry DOI: 10.7270/Q20P10CT
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
BindingDB Entry DOI: 10.7270/Q20P10CT
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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 6


(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 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
BindingDB Entry DOI: 10.7270/Q20P10CT
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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50348378
PNG
(CHEMBL1800377)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc3OCCOc3c2)n1
Show InChI InChI=1S/C15H14N2O4S/c1-9-6-14(19)17-15(16-9)22-8-11(18)10-2-3-12-13(7-10)21-5-4-20-12/h2-3,6-7H,4-5,8H2,1H3,(H,16,17,19)
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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 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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 7


(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 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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 7


(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>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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 7


(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 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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 7


(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 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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50348378
PNG
(CHEMBL1800377)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc3OCCOc3c2)n1
Show InChI InChI=1S/C15H14N2O4S/c1-9-6-14(19)17-15(16-9)22-8-11(18)10-2-3-12-13(7-10)21-5-4-20-12/h2-3,6-7H,4-5,8H2,1H3,(H,16,17,19)
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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 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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 8


(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>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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 8


(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 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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 8


(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 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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50348378
PNG
(CHEMBL1800377)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc3OCCOc3c2)n1
Show InChI InChI=1S/C15H14N2O4S/c1-9-6-14(19)17-15(16-9)22-8-11(18)10-2-3-12-13(7-10)21-5-4-20-12/h2-3,6-7H,4-5,8H2,1H3,(H,16,17,19)
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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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 9


(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 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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 9


(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>1.00E+5n/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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 9


(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 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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 9


(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 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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50348378
PNG
(CHEMBL1800377)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc3OCCOc3c2)n1
Show InChI InChI=1S/C15H14N2O4S/c1-9-6-14(19)17-15(16-9)22-8-11(18)10-2-3-12-13(7-10)21-5-4-20-12/h2-3,6-7H,4-5,8H2,1H3,(H,16,17,19)
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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 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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 1


(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 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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 1


(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>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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 1


(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 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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 1


(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 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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50348378
PNG
(CHEMBL1800377)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc3OCCOc3c2)n1
Show InChI InChI=1S/C15H14N2O4S/c1-9-6-14(19)17-15(16-9)22-8-11(18)10-2-3-12-13(7-10)21-5-4-20-12/h2-3,6-7H,4-5,8H2,1H3,(H,16,17,19)
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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 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
BindingDB Entry DOI: 10.7270/Q20P10CT
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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 2


(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>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
BindingDB Entry DOI: 10.7270/Q20P10CT
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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 2


(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 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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50348378
PNG
(CHEMBL1800377)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc3OCCOc3c2)n1
Show InChI InChI=1S/C15H14N2O4S/c1-9-6-14(19)17-15(16-9)22-8-11(18)10-2-3-12-13(7-10)21-5-4-20-12/h2-3,6-7H,4-5,8H2,1H3,(H,16,17,19)
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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 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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 3


(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 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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 3


(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>1.00E+5n/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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 3


(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 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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 3


(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 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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50348378
PNG
(CHEMBL1800377)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc3OCCOc3c2)n1
Show InChI InChI=1S/C15H14N2O4S/c1-9-6-14(19)17-15(16-9)22-8-11(18)10-2-3-12-13(7-10)21-5-4-20-12/h2-3,6-7H,4-5,8H2,1H3,(H,16,17,19)
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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 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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Histone deacetylase 4


(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 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
BindingDB Entry DOI: 10.7270/Q20P10CT
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM64099
PNG
(2-(4-Hydroxy-6-methyl-pyrimidin-2-ylsulfanyl)-1-(4...)
Show SMILES COc1ccc(cc1C)C(=O)CSc1nc(C)cc(=O)[nH]1
Show InChI InChI=1S/C15H16N2O3S/c1-9-6-11(4-5-13(9)20-3)12(18)8-21-15-16-10(2)7-14(19)17-15/h4-7H,8H2,1-3H3,(H,16,17,19)
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n/an/an/an/a>1.95E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair