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PubMed code 19268585

Compile data set for download or QSAR
Found 30 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 1


(Homo sapiens (Human))
BDBM50278466
PNG
(CHEMBL470421 | pyridin-3-ylmethyl 4-(2-amino-5-(th...)
Show SMILES CP(=O)(Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1)OCc1cccnc1
Show InChI InChI=1S/C25H24N3O3PS/c1-32(30,31-16-19-4-2-12-27-15-19)17-18-6-8-20(9-7-18)25(29)28-23-14-21(10-11-22(23)26)24-5-3-13-33-24/h2-15H,16-17,26H2,1H3,(H,28,29)
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n/an/a 3.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 19: 2053-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.009
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50278467
PNG
(CHEMBL511473 | ethyl 4-(2-amino-5-(thiophen-2-yl)p...)
Show SMILES CCOP(=O)(CC)Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C22H25N2O3PS/c1-3-27-28(26,4-2)15-16-7-9-17(10-8-16)22(25)24-20-14-18(11-12-19(20)23)21-6-5-13-29-21/h5-14H,3-4,15,23H2,1-2H3,(H,24,25)
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n/an/a 6.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 19: 2053-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.009
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50278377
PNG
(CHEMBL472636 | methyl 4-(2-amino-5-(thiophen-2-yl)...)
Show SMILES CCP(=O)(Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1)OC
Show InChI InChI=1S/C21H23N2O3PS/c1-3-27(25,26-2)14-15-6-8-16(9-7-15)21(24)23-19-13-17(10-11-18(19)22)20-5-4-12-28-20/h4-13H,3,14,22H2,1-2H3,(H,23,24)
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 19: 2053-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.009
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50278515
PNG
(CHEMBL470225 | diethyl(4-(2-amino-5-(thiophen-2-yl...)
Show SMILES CCOP(=O)(CNCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1)OCC
Show InChI InChI=1S/C23H28N3O4PS/c1-3-29-31(28,30-4-2)16-25-15-17-7-9-18(10-8-17)23(27)26-21-14-19(11-12-20(21)24)22-6-5-13-32-22/h5-14,25H,3-4,15-16,24H2,1-2H3,(H,26,27)
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n/an/a 7.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 19: 2053-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.009
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50278420
PNG
(CHEMBL513536 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES CCP(=O)(CC)Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C22H25N2O2PS/c1-3-27(26,4-2)15-16-7-9-17(10-8-16)22(25)24-20-14-18(11-12-19(20)23)21-6-5-13-28-21/h5-14H,3-4,15,23H2,1-2H3,(H,24,25)
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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 19: 2053-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.009
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50278470
PNG
(CHEMBL513876 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES CC(C)P(=O)(Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1)C(C)C
Show InChI InChI=1S/C24H29N2O2PS/c1-16(2)29(28,17(3)4)15-18-7-9-19(10-8-18)24(27)26-22-14-20(11-12-21(22)25)23-6-5-13-30-23/h5-14,16-17H,15,25H2,1-4H3,(H,26,27)
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 19: 2053-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.009
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50278251
PNG
(CHEMBL471031 | diethyl 4-(2-amino-5-(thiophen-2-yl...)
Show SMILES CCOP(=O)(Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1)OCC
Show InChI InChI=1S/C22H25N2O4PS/c1-3-27-29(26,28-4-2)15-16-7-9-17(10-8-16)22(25)24-20-14-18(11-12-19(20)23)21-6-5-13-30-21/h5-14H,3-4,15,23H2,1-2H3,(H,24,25)
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 19: 2053-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.009
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50278515
PNG
(CHEMBL470225 | diethyl(4-(2-amino-5-(thiophen-2-yl...)
Show SMILES CCOP(=O)(CNCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1)OCC
Show InChI InChI=1S/C23H28N3O4PS/c1-3-29-31(28,30-4-2)16-25-15-17-7-9-18(10-8-17)23(27)26-21-14-19(11-12-20(21)24)22-6-5-13-32-22/h5-14,25H,3-4,15-16,24H2,1-2H3,(H,26,27)
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n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC2


Bioorg Med Chem Lett 19: 2053-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.009
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50278308
PNG
(CHEMBL469557 | ethyl 4-(2-amino-5-(thiophen-2-yl)p...)
Show SMILES CCOP(C)(=O)c1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C20H21N2O3PS/c1-3-25-26(2,24)16-9-6-14(7-10-16)20(23)22-18-13-15(8-11-17(18)21)19-5-4-12-27-19/h4-13H,3,21H2,1-2H3,(H,22,23)
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n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 19: 2053-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.009
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50278468
PNG
(CHEMBL469377 | ethyl 4-(2-amino-5-(thiophen-2-yl)p...)
Show SMILES CCOP(C)(=O)Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C21H23N2O3PS/c1-3-26-27(2,25)14-15-6-8-16(9-7-15)21(24)23-19-13-17(10-11-18(19)22)20-5-4-12-28-20/h4-13H,3,14,22H2,1-2H3,(H,23,24)
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n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 19: 2053-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.009
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50278374
PNG
(CHEMBL471453 | methyl 4-(2-amino-5-(thiophen-2-yl)...)
Show SMILES COP(=O)(Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1)c1ccccc1
Show InChI InChI=1S/C25H23N2O3PS/c1-30-31(29,21-6-3-2-4-7-21)17-18-9-11-19(12-10-18)25(28)27-23-16-20(13-14-22(23)26)24-8-5-15-32-24/h2-16H,17,26H2,1H3,(H,27,28)
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n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 19: 2053-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.009
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50278422
PNG
(CHEMBL469368 | ethyl 4-(2-amino-5-(thiophen-2-yl)p...)
Show SMILES CCOP(=O)(c1ccccc1)c1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C25H23N2O3PS/c1-2-30-31(29,20-7-4-3-5-8-20)21-13-10-18(11-14-21)25(28)27-23-17-19(12-15-22(23)26)24-9-6-16-32-24/h3-17H,2,26H2,1H3,(H,27,28)
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n/an/a 21n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 19: 2053-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.009
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50278249
PNG
(CHEMBL442563 | diethyl 4-(2-amino-5-(thiophen-2-yl...)
Show SMILES CCOP(=O)(OCC)c1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C21H23N2O4PS/c1-3-26-28(25,27-4-2)17-10-7-15(8-11-17)21(24)23-19-14-16(9-12-18(19)22)20-6-5-13-29-20/h5-14H,3-4,22H2,1-2H3,(H,23,24)
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n/an/a 22n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 19: 2053-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.009
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50278307
PNG
(CHEMBL469342 | diethyl 3-(2-amino-5-(thiophen-2-yl...)
Show SMILES CCOP(=O)(Cc1cccc(c1)C(=O)Nc1cc(ccc1N)-c1cccs1)OCC
Show InChI InChI=1S/C22H25N2O4PS/c1-3-27-29(26,28-4-2)15-16-7-5-8-18(13-16)22(25)24-20-14-17(10-11-19(20)23)21-9-6-12-30-21/h5-14H,3-4,15,23H2,1-2H3,(H,24,25)
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n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 19: 2053-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.009
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50278375
PNG
(4-(2-amino-5-(thiophen-2-yl)phenylcarbamoyl)benzyl...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CP(O)(=O)c2ccccc2)cc1)-c1cccs1
Show InChI InChI=1S/C24H21N2O3PS/c25-21-13-12-19(23-7-4-14-31-23)15-22(21)26-24(27)18-10-8-17(9-11-18)16-30(28,29)20-5-2-1-3-6-20/h1-15H,16,25H2,(H,26,27)(H,28,29)
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n/an/a 28n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 19: 2053-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.009
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50278309
PNG
(CHEMBL471868 | methyl 4-(2-amino-5-(thiophen-2-yl)...)
Show SMILES COP(=O)(c1ccccc1)c1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C24H21N2O3PS/c1-29-30(28,19-6-3-2-4-7-19)20-12-9-17(10-13-20)24(27)26-22-16-18(11-14-21(22)25)23-8-5-15-31-23/h2-16H,25H2,1H3,(H,26,27)
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n/an/a 29n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 19: 2053-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.009
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50278306
PNG
(CHEMBL513014 | ethyl hydrogen 4-(2-amino-5-(thioph...)
Show SMILES CCOP(O)(=O)Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C20H21N2O4PS/c1-2-26-27(24,25)13-14-5-7-15(8-6-14)20(23)22-18-12-16(9-10-17(18)21)19-4-3-11-28-19/h3-12H,2,13,21H2,1H3,(H,22,23)(H,24,25)
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n/an/a 38n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 19: 2053-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.009
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50278250
PNG
(CHEMBL513255 | ethyl hydrogen 4-(2-amino-5-(thioph...)
Show SMILES CCOP(O)(=O)c1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C19H19N2O4PS/c1-2-25-26(23,24)15-8-5-13(6-9-15)19(22)21-17-12-14(7-10-16(17)20)18-4-3-11-27-18/h3-12H,2,20H2,1H3,(H,21,22)(H,23,24)
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n/an/a 42n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 19: 2053-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.009
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50278423
PNG
(CHEMBL469369 | methyl 4-(2-amino-5-(thiophen-2-yl)...)
Show SMILES COP(C)(=O)c1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C19H19N2O3PS/c1-24-25(2,23)15-8-5-13(6-9-15)19(22)21-17-12-14(7-10-16(17)20)18-4-3-11-26-18/h3-12H,20H2,1-2H3,(H,21,22)
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n/an/a 52n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 19: 2053-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.009
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50278469
PNG
(CHEMBL469378 | methyl 4-(2-amino-5-(thiophen-2-yl)...)
Show SMILES COP(C)(=O)Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C20H21N2O3PS/c1-25-26(2,24)13-14-5-7-15(8-6-14)20(23)22-18-12-16(9-10-17(18)21)19-4-3-11-27-19/h3-12H,13,21H2,1-2H3,(H,22,23)
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PubMed
n/an/a 54n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 19: 2053-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.009
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50278419
PNG
(CHEMBL512857 | methyl 3-(2-amino-5-(thiophen-2-yl)...)
Show SMILES CCP(=O)(Cc1cccc(c1)C(=O)Nc1cc(ccc1N)-c1cccs1)OC
Show InChI InChI=1S/C21H23N2O3PS/c1-3-27(25,26-2)14-15-6-4-7-17(12-15)21(24)23-19-13-16(9-10-18(19)22)20-8-5-11-28-20/h4-13H,3,14,22H2,1-2H3,(H,23,24)
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n/an/a 90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 19: 2053-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.009
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50278376
PNG
(CHEMBL471455 | methyl 3-(2-amino-5-(thiophen-2-yl)...)
Show SMILES COP(=O)(Cc1cccc(c1)C(=O)Nc1cc(ccc1N)-c1cccs1)c1ccccc1
Show InChI InChI=1S/C25H23N2O3PS/c1-30-31(29,21-9-3-2-4-10-21)17-18-7-5-8-20(15-18)25(28)27-23-16-19(12-13-22(23)26)24-11-6-14-32-24/h2-16H,17,26H2,1H3,(H,27,28)
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n/an/a 140n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 19: 2053-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.009
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50278421
PNG
(CHEMBL469363 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES CCP(=O)(CC)Cc1cccc(c1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C22H25N2O2PS/c1-3-27(26,4-2)15-16-7-5-8-18(13-16)22(25)24-20-14-17(10-11-19(20)23)21-9-6-12-28-21/h5-14H,3-4,15,23H2,1-2H3,(H,24,25)
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n/an/a 270n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


Bioorg Med Chem Lett 19: 2053-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.009
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50278515
PNG
(CHEMBL470225 | diethyl(4-(2-amino-5-(thiophen-2-yl...)
Show SMILES CCOP(=O)(CNCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1)OCC
Show InChI InChI=1S/C23H28N3O4PS/c1-3-29-31(28,30-4-2)16-25-15-17-7-9-18(10-8-17)23(27)26-21-14-19(11-12-20(21)24)22-6-5-13-32-22/h5-14,25H,3-4,15-16,24H2,1-2H3,(H,26,27)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC3


Bioorg Med Chem Lett 19: 2053-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.009
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50278515
PNG
(CHEMBL470225 | diethyl(4-(2-amino-5-(thiophen-2-yl...)
Show SMILES CCOP(=O)(CNCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1)OCC
Show InChI InChI=1S/C23H28N3O4PS/c1-3-29-31(28,30-4-2)16-25-15-17-7-9-18(10-8-17)23(27)26-21-14-19(11-12-20(21)24)22-6-5-13-32-22/h5-14,25H,3-4,15-16,24H2,1-2H3,(H,26,27)
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n/an/a 3.70E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC8


Bioorg Med Chem Lett 19: 2053-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.009
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50278515
PNG
(CHEMBL470225 | diethyl(4-(2-amino-5-(thiophen-2-yl...)
Show SMILES CCOP(=O)(CNCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1)OCC
Show InChI InChI=1S/C23H28N3O4PS/c1-3-29-31(28,30-4-2)16-25-15-17-7-9-18(10-8-17)23(27)26-21-14-19(11-12-20(21)24)22-6-5-13-32-22/h5-14,25H,3-4,15-16,24H2,1-2H3,(H,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC7


Bioorg Med Chem Lett 19: 2053-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.009
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50278515
PNG
(CHEMBL470225 | diethyl(4-(2-amino-5-(thiophen-2-yl...)
Show SMILES CCOP(=O)(CNCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1)OCC
Show InChI InChI=1S/C23H28N3O4PS/c1-3-29-31(28,30-4-2)16-25-15-17-7-9-18(10-8-17)23(27)26-21-14-19(11-12-20(21)24)22-6-5-13-32-22/h5-14,25H,3-4,15-16,24H2,1-2H3,(H,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC5


Bioorg Med Chem Lett 19: 2053-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.009
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50278515
PNG
(CHEMBL470225 | diethyl(4-(2-amino-5-(thiophen-2-yl...)
Show SMILES CCOP(=O)(CNCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1)OCC
Show InChI InChI=1S/C23H28N3O4PS/c1-3-29-31(28,30-4-2)16-25-15-17-7-9-18(10-8-17)23(27)26-21-14-19(11-12-20(21)24)22-6-5-13-32-22/h5-14,25H,3-4,15-16,24H2,1-2H3,(H,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC11


Bioorg Med Chem Lett 19: 2053-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.009
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50278515
PNG
(CHEMBL470225 | diethyl(4-(2-amino-5-(thiophen-2-yl...)
Show SMILES CCOP(=O)(CNCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1)OCC
Show InChI InChI=1S/C23H28N3O4PS/c1-3-29-31(28,30-4-2)16-25-15-17-7-9-18(10-8-17)23(27)26-21-14-19(11-12-20(21)24)22-6-5-13-32-22/h5-14,25H,3-4,15-16,24H2,1-2H3,(H,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC6


Bioorg Med Chem Lett 19: 2053-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.009
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50278515
PNG
(CHEMBL470225 | diethyl(4-(2-amino-5-(thiophen-2-yl...)
Show SMILES CCOP(=O)(CNCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1)OCC
Show InChI InChI=1S/C23H28N3O4PS/c1-3-29-31(28,30-4-2)16-25-15-17-7-9-18(10-8-17)23(27)26-21-14-19(11-12-20(21)24)22-6-5-13-32-22/h5-14,25H,3-4,15-16,24H2,1-2H3,(H,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC4


Bioorg Med Chem Lett 19: 2053-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.009
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%