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Compile Data Set for Download or QSAR

Found 40 hits with Last Name = 'gardan' and Initial = 's'   
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))
BDBM50198484
PNG
(5-(5-((2-(benzofuran-4-yl)ethylamino)methyl)pyridi...)
Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CNCCc2cccc3occc23)cn1
Show InChI InChI=1S/C21H19N3O3S/c25-21(24-26)20-7-6-19(28-20)17-5-4-14(13-23-17)12-22-10-8-15-2-1-3-18-16(15)9-11-27-18/h1-7,9,11,13,22,26H,8,10,12H2,(H,24,25)
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n/an/a 4n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50198461
PNG
(5-(5-((2-chlorophenethylamino)methyl)pyridin-2-yl)...)
Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CNCCc2ccccc2Cl)cn1
Show InChI InChI=1S/C19H18ClN3O2S/c20-15-4-2-1-3-14(15)9-10-21-11-13-5-6-16(22-12-13)17-7-8-18(26-17)19(24)23-25/h1-8,12,21,25H,9-11H2,(H,23,24)
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n/an/a 6n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50198480
PNG
(5-(5-((2-chlorobenzylamino)methyl)pyridin-2-yl)-N-...)
Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CNCc2ccccc2Cl)cn1
Show InChI InChI=1S/C18H16ClN3O2S/c19-14-4-2-1-3-13(14)11-20-9-12-5-6-15(21-10-12)16-7-8-17(25-16)18(23)22-24/h1-8,10,20,24H,9,11H2,(H,22,23)
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n/an/a 7n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50198462
PNG
(5-(5-((biphenyl-4-ylmethylamino)methyl)pyridin-2-y...)
Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CNCc2ccc(cc2)-c2ccccc2)cn1
Show InChI InChI=1S/C24H21N3O2S/c28-24(27-29)23-13-12-22(30-23)21-11-8-18(16-26-21)15-25-14-17-6-9-20(10-7-17)19-4-2-1-3-5-19/h1-13,16,25,29H,14-15H2,(H,27,28)
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n/an/a 7n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50198475
PNG
(5-(5-((benzo[d][1,3]dioxol-5-ylmethylamino)methyl)...)
Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CNCc2ccc3OCOc3c2)cn1
Show InChI InChI=1S/C19H17N3O4S/c23-19(22-24)18-6-5-17(27-18)14-3-1-13(10-21-14)9-20-8-12-2-4-15-16(7-12)26-11-25-15/h1-7,10,20,24H,8-9,11H2,(H,22,23)
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n/an/a 8n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50198469
PNG
(CHEMBL441699 | N-hydroxy-5-(5-((2-methylphenethyla...)
Show SMILES Cc1ccccc1CCNCc1ccc(nc1)-c1ccc(s1)C(=O)NO
Show InChI InChI=1S/C20H21N3O2S/c1-14-4-2-3-5-16(14)10-11-21-12-15-6-7-17(22-13-15)18-8-9-19(26-18)20(24)23-25/h2-9,13,21,25H,10-12H2,1H3,(H,23,24)
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n/an/a 8n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50198473
PNG
(5-(5-((2-(1H-indol-3-yl)ethylamino)methyl)pyridin-...)
Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CNCCc2c[nH]c3ccccc23)cn1
Show InChI InChI=1S/C21H20N4O2S/c26-21(25-27)20-8-7-19(28-20)18-6-5-14(12-23-18)11-22-10-9-15-13-24-17-4-2-1-3-16(15)17/h1-8,12-13,22,24,27H,9-11H2,(H,25,26)
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n/an/a 8n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50198454
PNG
(5-(5-((4-chlorobenzylamino)methyl)pyridin-2-yl)-N-...)
Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CNCc2ccc(Cl)cc2)cn1
Show InChI InChI=1S/C18H16ClN3O2S/c19-14-4-1-12(2-5-14)9-20-10-13-3-6-15(21-11-13)16-7-8-17(25-16)18(23)22-24/h1-8,11,20,24H,9-10H2,(H,22,23)
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n/an/a 9n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50198470
PNG
(CHEMBL436964 | N-hydroxy-5-(5-((3-methylphenethyla...)
Show SMILES Cc1cccc(CCNCc2ccc(nc2)-c2ccc(s2)C(=O)NO)c1
Show InChI InChI=1S/C20H21N3O2S/c1-14-3-2-4-15(11-14)9-10-21-12-16-5-6-17(22-13-16)18-7-8-19(26-18)20(24)23-25/h2-8,11,13,21,25H,9-10,12H2,1H3,(H,23,24)
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n/an/a 9n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50198463
PNG
(5-(5-((4-fluorophenethylamino)methyl)pyridin-2-yl)...)
Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CNCCc2ccc(F)cc2)cn1
Show InChI InChI=1S/C19H18FN3O2S/c20-15-4-1-13(2-5-15)9-10-21-11-14-3-6-16(22-12-14)17-7-8-18(26-17)19(24)23-25/h1-8,12,21,25H,9-11H2,(H,23,24)
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n/an/a 9n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50198472
PNG
(5-(5-(2-(benzo[d][1,3]dioxol-5-ylmethylamino)ethyl...)
Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CCNCc2ccc3OCOc3c2)cn1
Show InChI InChI=1S/C20H19N3O4S/c24-20(23-25)19-6-5-18(28-19)15-3-1-13(11-22-15)7-8-21-10-14-2-4-16-17(9-14)27-12-26-16/h1-6,9,11,21,25H,7-8,10,12H2,(H,23,24)
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n/an/a 9n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50198478
PNG
(5-(5-(2-(benzylamino)ethyl)pyridin-2-yl)-N-hydroxy...)
Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CCNCc2ccccc2)cn1
Show InChI InChI=1S/C19H19N3O2S/c23-19(22-24)18-9-8-17(25-18)16-7-6-15(13-21-16)10-11-20-12-14-4-2-1-3-5-14/h1-9,13,20,24H,10-12H2,(H,22,23)
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n/an/a 9n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50198453
PNG
(5-(5-(((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl...)
Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CNCc2ccc3OCCOc3c2)cn1
Show InChI InChI=1S/C20H19N3O4S/c24-20(23-25)19-6-5-18(28-19)15-3-1-14(12-22-15)11-21-10-13-2-4-16-17(9-13)27-8-7-26-16/h1-6,9,12,21,25H,7-8,10-11H2,(H,23,24)
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n/an/a 11n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50198465
PNG
(CHEMBL387247 | N-hydroxy-5-(5-((2-phenoxyethylamin...)
Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CNCCOc2ccccc2)cn1
Show InChI InChI=1S/C19H19N3O3S/c23-19(22-24)18-9-8-17(26-18)16-7-6-14(13-21-16)12-20-10-11-25-15-4-2-1-3-5-15/h1-9,13,20,24H,10-12H2,(H,22,23)
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n/an/a 11n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50198455
PNG
(CHEMBL217531 | N-hydroxy-5-(5-((phenethylamino)met...)
Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CNCCc2ccccc2)cn1
Show InChI InChI=1S/C19H19N3O2S/c23-19(22-24)18-9-8-17(25-18)16-7-6-15(13-21-16)12-20-11-10-14-4-2-1-3-5-14/h1-9,13,20,24H,10-12H2,(H,22,23)
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n/an/a 12n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50198466
PNG
(5-(5-((2-fluorophenethylamino)methyl)pyridin-2-yl)...)
Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CNCCc2ccccc2F)cn1
Show InChI InChI=1S/C19H18FN3O2S/c20-15-4-2-1-3-14(15)9-10-21-11-13-5-6-16(22-12-13)17-7-8-18(26-17)19(24)23-25/h1-8,12,21,25H,9-11H2,(H,23,24)
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n/an/a 12n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50198464
PNG
(5-(5-(2-(4-fluorobenzylamino)ethyl)pyridin-2-yl)-N...)
Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CCNCc2ccc(F)cc2)cn1
Show InChI InChI=1S/C19H18FN3O2S/c20-15-4-1-13(2-5-15)11-21-10-9-14-3-6-16(22-12-14)17-7-8-18(26-17)19(24)23-25/h1-8,12,21,25H,9-11H2,(H,23,24)
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n/an/a 13n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50198468
PNG
(CHEMBL216896 | N-hydroxy-5-(5-((4-methylphenethyla...)
Show SMILES Cc1ccc(CCNCc2ccc(nc2)-c2ccc(s2)C(=O)NO)cc1
Show InChI InChI=1S/C20H21N3O2S/c1-14-2-4-15(5-3-14)10-11-21-12-16-6-7-17(22-13-16)18-8-9-19(26-18)20(24)23-25/h2-9,13,21,25H,10-12H2,1H3,(H,23,24)
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n/an/a 14n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50198474
PNG
(CHEMBL263570 | N-hydroxy-5-(5-((phenylamino)methyl...)
Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CNc2ccccc2)cn1
Show InChI InChI=1S/C17H15N3O2S/c21-17(20-22)16-9-8-15(23-16)14-7-6-12(11-19-14)10-18-13-4-2-1-3-5-13/h1-9,11,18,22H,10H2,(H,20,21)
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n/an/a 16n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50198483
PNG
(5-(5-((benzylamino)methyl)pyridin-2-yl)-N-hydroxyt...)
Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CNCc2ccccc2)cn1
Show InChI InChI=1S/C18H17N3O2S/c22-18(21-23)17-9-8-16(24-17)15-7-6-14(12-20-15)11-19-10-13-4-2-1-3-5-13/h1-9,12,19,23H,10-11H2,(H,21,22)
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n/an/a 16n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50198458
PNG
(CHEMBL385934 | N-hydroxy-5-(5-((2-methoxyphenethyl...)
Show SMILES COc1ccccc1CCNCc1ccc(nc1)-c1ccc(s1)C(=O)NO
Show InChI InChI=1S/C20H21N3O3S/c1-26-17-5-3-2-4-15(17)10-11-21-12-14-6-7-16(22-13-14)18-8-9-19(27-18)20(24)23-25/h2-9,13,21,25H,10-12H2,1H3,(H,23,24)
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n/an/a 17n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50198456
PNG
(CHEMBL217529 | N-hydroxy-5-(5-((3-phenylpropylamin...)
Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CNCCCc2ccccc2)cn1
Show InChI InChI=1S/C20H21N3O2S/c24-20(23-25)19-11-10-18(26-19)17-9-8-16(14-22-17)13-21-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,14,21,25H,4,7,12-13H2,(H,23,24)
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n/an/a 18n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50198218
PNG
(5-(1-(2-(benzo[d][1,3]dioxol-5-ylmethylamino)ethyl...)
Show SMILES ONC(=O)c1ccc(s1)-c1ccn(CCNCc2ccc3OCOc3c2)n1
Show InChI InChI=1S/C18H18N4O4S/c23-18(21-24)17-4-3-16(27-17)13-5-7-22(20-13)8-6-19-10-12-1-2-14-15(9-12)26-11-25-14/h1-5,7,9,19,24H,6,8,10-11H2,(H,21,23)
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n/an/a 29n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50198482
PNG
(5-(5-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)pyri...)
Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CN2CCc3ccccc3C2)cn1
Show InChI InChI=1S/C20H19N3O2S/c24-20(22-25)19-8-7-18(26-19)17-6-5-14(11-21-17)12-23-10-9-15-3-1-2-4-16(15)13-23/h1-8,11,25H,9-10,12-13H2,(H,22,24)
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n/an/a 30n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50198471
PNG
(CHEMBL279353 | N-hydroxy-5-(5-(2-(phenethylamino)e...)
Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CCNCCc2ccccc2)cn1
Show InChI InChI=1S/C20H21N3O2S/c24-20(23-25)19-9-8-18(26-19)17-7-6-16(14-22-17)11-13-21-12-10-15-4-2-1-3-5-15/h1-9,14,21,25H,10-13H2,(H,23,24)
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n/an/a 31n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50198459
PNG
(5-(5-((benzyl(methyl)amino)methyl)pyridin-2-yl)-N-...)
Show SMILES CN(Cc1ccccc1)Cc1ccc(nc1)-c1ccc(s1)C(=O)NO
Show InChI InChI=1S/C19H19N3O2S/c1-22(12-14-5-3-2-4-6-14)13-15-7-8-16(20-11-15)17-9-10-18(25-17)19(23)21-24/h2-11,24H,12-13H2,1H3,(H,21,23)
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n/an/a 35n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50198457
PNG
(CHEMBL425971 | N-hydroxy-5-(5-(phenethylamino)pyri...)
Show SMILES ONC(=O)c1ccc(s1)-c1ccc(NCCc2ccccc2)cn1
Show InChI InChI=1S/C18H17N3O2S/c22-18(21-23)17-9-8-16(24-17)15-7-6-14(12-20-15)19-11-10-13-4-2-1-3-5-13/h1-9,12,19,23H,10-11H2,(H,21,22)
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n/an/a 80n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
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 125n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50198476
PNG
(CHEMBL217817 | N-hydroxy-5-(pyrimidin-2-yl)thiophe...)
Show SMILES ONC(=O)c1ccc(s1)-c1ncccn1
Show InChI InChI=1S/C9H7N3O2S/c13-9(12-14)7-3-2-6(15-7)8-10-4-1-5-11-8/h1-5,14H,(H,12,13)
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n/an/a 186n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50198477
PNG
(CHEMBL216509 | N-hydroxy-5-(pyridin-2-yl)thiophene...)
Show SMILES ONC(=O)c1ccc(s1)-c1ccccn1
Show InChI InChI=1S/C10H8N2O2S/c13-10(12-14)9-5-4-8(15-9)7-3-1-2-6-11-7/h1-6,14H,(H,12,13)
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n/an/a 243n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50198460
PNG
(5-(6-((benzylamino)methyl)pyridin-2-yl)-N-hydroxyt...)
Show SMILES ONC(=O)c1ccc(s1)-c1cccc(CNCc2ccccc2)n1
Show InChI InChI=1S/C18H17N3O2S/c22-18(21-23)17-10-9-16(24-17)15-8-4-7-14(20-15)12-19-11-13-5-2-1-3-6-13/h1-10,19,23H,11-12H2,(H,21,22)
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n/an/a 359n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50198467
PNG
(CHEMBL217871 | N-hydroxy-5-(6-((phenethylamino)met...)
Show SMILES ONC(=O)c1ccc(s1)-c1cccc(CNCCc2ccccc2)n1
Show InChI InChI=1S/C19H19N3O2S/c23-19(22-24)18-10-9-17(25-18)16-8-4-7-15(21-16)13-20-12-11-14-5-2-1-3-6-14/h1-10,20,24H,11-13H2,(H,22,23)
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n/an/a 581n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50198221
PNG
(ADS-100380 | CHEMBL216885 | N-hydroxy-5-(1-methyl-...)
Show SMILES Cn1nc(cc1-c1ccc(s1)C(=O)NO)C(F)(F)F
Show InChI InChI=1S/C10H8F3N3O2S/c1-16-5(4-8(14-16)10(11,12)13)6-2-3-7(19-6)9(17)15-18/h2-4,18H,1H3,(H,15,17)
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n/an/a 750n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50198486
PNG
(CHEMBL217573 | N-hydroxy-5-phenylthiophene-2-carbo...)
Show SMILES ONC(=O)c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C11H9NO2S/c13-11(12-14)10-7-6-9(15-10)8-4-2-1-3-5-8/h1-7,14H,(H,12,13)
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n/an/a 900n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50198485
PNG
(CHEMBL216292 | N-hydroxy-5-(pyridin-3-yl)thiophene...)
Show SMILES ONC(=O)c1ccc(s1)-c1cccnc1
Show InChI InChI=1S/C10H8N2O2S/c13-10(12-14)9-4-3-8(15-9)7-2-1-5-11-6-7/h1-6,14H,(H,12,13)
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n/an/a 1.13E+3n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50198481
PNG
(CHEMBL217816 | N-hydroxy-5-(pyridin-4-yl)thiophene...)
Show SMILES ONC(=O)c1ccc(s1)-c1ccncc1
Show InChI InChI=1S/C10H8N2O2S/c13-10(12-14)9-2-1-8(15-9)7-3-5-11-6-4-7/h1-6,14H,(H,12,13)
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n/an/a 1.26E+3n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50198479
PNG
(CHEMBL217750 | N-hydroxy-2,2'-bithiophene-5-carbox...)
Show SMILES ONC(=O)c1ccc(s1)-c1cccs1
Show InChI InChI=1S/C9H7NO2S2/c11-9(10-12)8-4-3-7(14-8)6-2-1-5-13-6/h1-5,12H,(H,10,11)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(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 1.20E+4n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP450 3A4


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50198483
PNG
(5-(5-((benzylamino)methyl)pyridin-2-yl)-N-hydroxyt...)
Show SMILES ONC(=O)c1ccc(s1)-c1ccc(CNCc2ccccc2)cn1
Show InChI InChI=1S/C18H17N3O2S/c22-18(21-23)17-9-8-16(24-17)15-7-6-14(12-20-15)11-19-10-13-4-2-1-3-5-13/h1-9,12,19,23H,10-11H2,(H,21,22)
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n/an/a 2.60E+4n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP450 3A4


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50198218
PNG
(5-(1-(2-(benzo[d][1,3]dioxol-5-ylmethylamino)ethyl...)
Show SMILES ONC(=O)c1ccc(s1)-c1ccn(CCNCc2ccc3OCOc3c2)n1
Show InChI InChI=1S/C18H18N4O4S/c23-18(21-24)17-4-3-16(27-17)13-5-7-22(20-13)8-6-19-10-12-1-2-14-15(9-12)26-11-25-14/h1-5,7,9,19,24H,6,8,10-11H2,(H,21,23)
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n/an/a 5.30E+4n/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP450 3A4


Bioorg Med Chem Lett 17: 363-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.045
BindingDB Entry DOI: 10.7270/Q2VT1RR0
More data for this
Ligand-Target Pair