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PubMed code 26639764

Compile data set for download or QSAR
Found 17 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


(Homo sapiens (Human))
BDBM50138810
PNG
(CHEMBL3752558)
Show SMILES CC(=O)N[C@@H](CSC(=S)Nc1ccc(NC(=S)SC[C@H](NC(C)=O)C(O)=O)cc1)C(O)=O |r|
Show InChI InChI=1S/C18H22N4O6S4/c1-9(23)19-13(15(25)26)7-31-17(29)21-11-3-5-12(6-4-11)22-18(30)32-8-14(16(27)28)20-10(2)24/h3-6,13-14H,7-8H2,1-2H3,(H,19,23)(H,20,24)(H,21,29)(H,22,30)(H,25,26)(H,27,28)/t13-,14-/m0/s1
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Article
PubMed
n/an/a 2.90E+5n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human LoVo/DX cells using Boc-Lys(Ac)-AMC as substrate assessed as release of AMC pre-incubated for 15 mins followed by substra...


Bioorg Med Chem Lett 26: 667-71 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.045
BindingDB Entry DOI: 10.7270/Q2D220G2
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50138812
PNG
(CHEMBL3754172)
Show SMILES CC(=O)N[C@@H](CSC(=S)Nc1ccc(C)c(NC(=S)SC[C@H](NC(C)=O)C(O)=O)c1)C(O)=O |r|
Show InChI InChI=1S/C19H24N4O6S4/c1-9-4-5-12(22-18(30)32-7-14(16(26)27)20-10(2)24)6-13(9)23-19(31)33-8-15(17(28)29)21-11(3)25/h4-6,14-15H,7-8H2,1-3H3,(H,20,24)(H,21,25)(H,22,30)(H,23,31)(H,26,27)(H,28,29)/t14-,15-/m0/s1
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n/an/a 4.50E+5n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human LoVo/DX cells using Boc-Lys(Ac)-AMC as substrate assessed as release of AMC pre-incubated for 15 mins followed by substra...


Bioorg Med Chem Lett 26: 667-71 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.045
BindingDB Entry DOI: 10.7270/Q2D220G2
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50138811
PNG
(CHEMBL3753294)
Show SMILES CC(=O)N[C@@H](CSC(=S)Nc1cccc(NC(=S)SC[C@H](NC(C)=O)C(O)=O)c1)C(O)=O |r|
Show InChI InChI=1S/C18H22N4O6S4/c1-9(23)19-13(15(25)26)7-31-17(29)21-11-4-3-5-12(6-11)22-18(30)32-8-14(16(27)28)20-10(2)24/h3-6,13-14H,7-8H2,1-2H3,(H,19,23)(H,20,24)(H,21,29)(H,22,30)(H,25,26)(H,27,28)/t13-,14-/m0/s1
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n/an/a 9.70E+5n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human LoVo/DX cells using Boc-Lys(Ac)-AMC as substrate assessed as release of AMC pre-incubated for 15 mins followed by substra...


Bioorg Med Chem Lett 26: 667-71 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.045
BindingDB Entry DOI: 10.7270/Q2D220G2
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50138807
PNG
(CHEMBL3752979)
Show SMILES CC(=O)N[C@@H](CSC(=S)NC1CCCCC1NC(=S)SC[C@H](NC(C)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C18H28N4O6S4/c1-9(23)19-13(15(25)26)7-31-17(29)21-11-5-3-4-6-12(11)22-18(30)32-8-14(16(27)28)20-10(2)24/h11-14H,3-8H2,1-2H3,(H,19,23)(H,20,24)(H,21,29)(H,22,30)(H,25,26)(H,27,28)/t11?,12?,13-,14-/m0/s1
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n/an/a 1.66E+6n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human LoVo/DX cells using Boc-Lys(Ac)-AMC as substrate assessed as release of AMC pre-incubated for 15 mins followed by substra...


Bioorg Med Chem Lett 26: 667-71 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.045
BindingDB Entry DOI: 10.7270/Q2D220G2
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50138804
PNG
(CHEMBL3752524)
Show SMILES CC(CCCNC(=S)SC[C@H](NC(C)=O)C(O)=O)CNC(=S)SC[C@H](NC(C)=O)C(O)=O |r|
Show InChI InChI=1S/C18H30N4O6S4/c1-10(7-20-18(30)32-9-14(16(27)28)22-12(3)24)5-4-6-19-17(29)31-8-13(15(25)26)21-11(2)23/h10,13-14H,4-9H2,1-3H3,(H,19,29)(H,20,30)(H,21,23)(H,22,24)(H,25,26)(H,27,28)/t10?,13-,14-/m0/s1
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PubMed
n/an/a 2.19E+6n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human LoVo/DX cells using Boc-Lys(Ac)-AMC as substrate assessed as release of AMC pre-incubated for 15 mins followed by substra...


Bioorg Med Chem Lett 26: 667-71 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.045
BindingDB Entry DOI: 10.7270/Q2D220G2
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50138803
PNG
(CHEMBL3752412)
Show SMILES CC(=O)N[C@@H](CSC(=S)NCCCCNC(=S)SC[C@H](NC(C)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C16H26N4O6S4/c1-9(21)19-11(13(23)24)7-29-15(27)17-5-3-4-6-18-16(28)30-8-12(14(25)26)20-10(2)22/h11-12H,3-8H2,1-2H3,(H,17,27)(H,18,28)(H,19,21)(H,20,22)(H,23,24)(H,25,26)/t11-,12-/m0/s1
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n/an/a 2.33E+6n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human LoVo/DX cells using Boc-Lys(Ac)-AMC as substrate assessed as release of AMC pre-incubated for 15 mins followed by substra...


Bioorg Med Chem Lett 26: 667-71 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.045
BindingDB Entry DOI: 10.7270/Q2D220G2
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50138809
PNG
(CHEMBL3754062)
Show SMILES CC(=O)N[C@@H](CSC(=S)NCC1CCCC(CNC(=S)SC[C@H](NC(C)=O)C(O)=O)C1)C(O)=O |r|
Show InChI InChI=1S/C20H32N4O6S4/c1-11(25)23-15(17(27)28)9-33-19(31)21-7-13-4-3-5-14(6-13)8-22-20(32)34-10-16(18(29)30)24-12(2)26/h13-16H,3-10H2,1-2H3,(H,21,31)(H,22,32)(H,23,25)(H,24,26)(H,27,28)(H,29,30)/t13?,14?,15-,16-/m0/s1
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n/an/a 2.68E+6n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human LoVo/DX cells using Boc-Lys(Ac)-AMC as substrate assessed as release of AMC pre-incubated for 15 mins followed by substra...


Bioorg Med Chem Lett 26: 667-71 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.045
BindingDB Entry DOI: 10.7270/Q2D220G2
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50138817
PNG
(CHEMBL3752507)
Show SMILES COc1ccc(CNC(=S)SC[C@H](NC(C)=O)C(O)=O)cc1 |r|
Show InChI InChI=1S/C14H18N2O4S2/c1-9(17)16-12(13(18)19)8-22-14(21)15-7-10-3-5-11(20-2)6-4-10/h3-6,12H,7-8H2,1-2H3,(H,15,21)(H,16,17)(H,18,19)/t12-/m0/s1
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n/an/a 2.94E+6n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human LoVo/DX cells using Boc-Lys(Ac)-AMC as substrate assessed as release of AMC pre-incubated for 15 mins followed by substra...


Bioorg Med Chem Lett 26: 667-71 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.045
BindingDB Entry DOI: 10.7270/Q2D220G2
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50420190
PNG
(5052 | ACETYLCYSTEINE)
Show SMILES CC(=O)N[C@@H](CS)C(O)=O |r|
Show InChI InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1
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Article
PubMed
n/an/a 3.16E+6n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human LoVo/DX cells using Boc-Lys(Ac)-AMC as substrate assessed as release of AMC pre-incubated for 15 mins followed by substra...


Bioorg Med Chem Lett 26: 667-71 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.045
BindingDB Entry DOI: 10.7270/Q2D220G2
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50138814
PNG
(CHEMBL3752230)
Show SMILES CCCCCNC(=S)SC[C@H](NC(C)=O)C(O)=O |r|
Show InChI InChI=1S/C11H20N2O3S2/c1-3-4-5-6-12-11(17)18-7-9(10(15)16)13-8(2)14/h9H,3-7H2,1-2H3,(H,12,17)(H,13,14)(H,15,16)/t9-/m0/s1
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n/an/a 3.20E+6n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human LoVo/DX cells using Boc-Lys(Ac)-AMC as substrate assessed as release of AMC pre-incubated for 15 mins followed by substra...


Bioorg Med Chem Lett 26: 667-71 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.045
BindingDB Entry DOI: 10.7270/Q2D220G2
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50138815
PNG
(CHEMBL3753774)
Show SMILES CC(=O)N[C@@H](CSC(=S)NCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C13H16N2O3S2/c1-9(16)15-11(12(17)18)8-20-13(19)14-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,14,19)(H,15,16)(H,17,18)/t11-/m0/s1
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n/an/a 3.44E+6n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human LoVo/DX cells using Boc-Lys(Ac)-AMC as substrate assessed as release of AMC pre-incubated for 15 mins followed by substra...


Bioorg Med Chem Lett 26: 667-71 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.045
BindingDB Entry DOI: 10.7270/Q2D220G2
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50138816
PNG
(CHEMBL3752846)
Show SMILES CC(=O)N[C@@H](CSC(=S)NCCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C14H18N2O3S2/c1-10(17)16-12(13(18)19)9-21-14(20)15-8-7-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,15,20)(H,16,17)(H,18,19)/t12-/m0/s1
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n/an/a 3.45E+6n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human LoVo/DX cells using Boc-Lys(Ac)-AMC as substrate assessed as release of AMC pre-incubated for 15 mins followed by substra...


Bioorg Med Chem Lett 26: 667-71 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.045
BindingDB Entry DOI: 10.7270/Q2D220G2
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50138813
PNG
(CHEMBL3754758)
Show SMILES CCCCNC(=S)SC[C@H](NC(C)=O)C(O)=O |r|
Show InChI InChI=1S/C10H18N2O3S2/c1-3-4-5-11-10(16)17-6-8(9(14)15)12-7(2)13/h8H,3-6H2,1-2H3,(H,11,16)(H,12,13)(H,14,15)/t8-/m0/s1
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n/an/a 3.46E+6n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human LoVo/DX cells using Boc-Lys(Ac)-AMC as substrate assessed as release of AMC pre-incubated for 15 mins followed by substra...


Bioorg Med Chem Lett 26: 667-71 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.045
BindingDB Entry DOI: 10.7270/Q2D220G2
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50138808
PNG
(CHEMBL3754699)
Show SMILES CC(=O)N[C@@H](CSC(=S)N[C@H]1CC[C@@H](CC1)NC(=S)SC[C@H](NC(C)=O)C(O)=O)C(O)=O |r,wU:13.16,4.4,wD:10.9,21.21,(-7.73,7.87,;-6.66,8.49,;-6.66,9.72,;-5.33,7.71,;-5.33,6.17,;-3.99,5.4,;-4,3.86,;-2.66,3.08,;-1.6,3.7,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;2.67,-1.54,;4,-.77,;4,.47,;5.34,-1.53,;6.67,-.76,;8.01,-1.53,;9.34,-.76,;10.68,-1.52,;10.68,-2.76,;11.74,-.91,;8.01,-3.07,;6.95,-3.69,;9.08,-3.68,;-6.67,5.41,;-6.67,4.17,;-7.73,6.03,)|
Show InChI InChI=1S/C18H28N4O6S4/c1-9(23)19-13(15(25)26)7-31-17(29)21-11-3-5-12(6-4-11)22-18(30)32-8-14(16(27)28)20-10(2)24/h11-14H,3-8H2,1-2H3,(H,19,23)(H,20,24)(H,21,29)(H,22,30)(H,25,26)(H,27,28)/t11-,12-,13-,14-/m0/s1
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n/an/a 3.74E+6n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human LoVo/DX cells using Boc-Lys(Ac)-AMC as substrate assessed as release of AMC pre-incubated for 15 mins followed by substra...


Bioorg Med Chem Lett 26: 667-71 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.045
BindingDB Entry DOI: 10.7270/Q2D220G2
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50138806
PNG
(CHEMBL3752941)
Show SMILES CC(=O)N[C@@H](CSC(=S)NCCCOCCOCCOCCCNC(=S)SC[C@H](NC(C)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C22H38N4O9S4/c1-15(27)25-17(19(29)30)13-38-21(36)23-5-3-7-33-9-11-35-12-10-34-8-4-6-24-22(37)39-14-18(20(31)32)26-16(2)28/h17-18H,3-14H2,1-2H3,(H,23,36)(H,24,37)(H,25,27)(H,26,28)(H,29,30)(H,31,32)/t17-,18-/m0/s1
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Article
PubMed
n/an/a 4.26E+6n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human LoVo/DX cells using Boc-Lys(Ac)-AMC as substrate assessed as release of AMC pre-incubated for 15 mins followed by substra...


Bioorg Med Chem Lett 26: 667-71 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.045
BindingDB Entry DOI: 10.7270/Q2D220G2
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50138805
PNG
(CHEMBL3754532)
Show SMILES CC(=O)N[C@@H](CSC(=S)NCCOCCOCCNC(=S)SC[C@H](NC(C)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C18H30N4O8S4/c1-11(23)21-13(15(25)26)9-33-17(31)19-3-5-29-7-8-30-6-4-20-18(32)34-10-14(16(27)28)22-12(2)24/h13-14H,3-10H2,1-2H3,(H,19,31)(H,20,32)(H,21,23)(H,22,24)(H,25,26)(H,27,28)/t13-,14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.37E+6n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human LoVo/DX cells using Boc-Lys(Ac)-AMC as substrate assessed as release of AMC pre-incubated for 15 mins followed by substra...


Bioorg Med Chem Lett 26: 667-71 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.045
BindingDB Entry DOI: 10.7270/Q2D220G2
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50138802
PNG
(CHEMBL3752573)
Show SMILES CC(=O)N[C@@H](CSC(=S)NCCCNC(=S)SC[C@H](NC(C)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C15H24N4O6S4/c1-8(20)18-10(12(22)23)6-28-14(26)16-4-3-5-17-15(27)29-7-11(13(24)25)19-9(2)21/h10-11H,3-7H2,1-2H3,(H,16,26)(H,17,27)(H,18,20)(H,19,21)(H,22,23)(H,24,25)/t10-,11-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.96E+6n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human LoVo/DX cells using Boc-Lys(Ac)-AMC as substrate assessed as release of AMC pre-incubated for 15 mins followed by substra...


Bioorg Med Chem Lett 26: 667-71 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.045
BindingDB Entry DOI: 10.7270/Q2D220G2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%