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Compile Data Set for Download or QSAR

Found 9 hits of ic50 for monomerid = 50239832   
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))
BDBM50239832
PNG
(CHEMBL4090647)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1
Show InChI InChI=1S/C24H31N3O4/c1-18-13-19(2)15-21(14-18)24(30)27(12-8-4-7-11-22(28)26-31)17-23(29)25-16-20-9-5-3-6-10-20/h3,5-6,9-10,13-15,31H,4,7-8,11-12,16-17H2,1-2H3,(H,25,29)(H,26,28)
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n/an/a 25n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of C-terminal FLAG/His-tagged recombinant human HDAC1 expressed in baculovirus infected Sf9 insect cells using Z-(Ac)Lys-AMC as substrate ...


J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))
BDBM50239832
PNG
(CHEMBL4090647)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1
Show InChI InChI=1S/C24H31N3O4/c1-18-13-19(2)15-21(14-18)24(30)27(12-8-4-7-11-22(28)26-31)17-23(29)25-16-20-9-5-3-6-10-20/h3,5-6,9-10,13-15,31H,4,7-8,11-12,16-17H2,1-2H3,(H,25,29)(H,26,28)
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n/an/a 26n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant C-terminal His-tagged HDAC3/NcoR2 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(epsilo...


J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50239832
PNG
(CHEMBL4090647)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1
Show InChI InChI=1S/C24H31N3O4/c1-18-13-19(2)15-21(14-18)24(30)27(12-8-4-7-11-22(28)26-31)17-23(29)25-16-20-9-5-3-6-10-20/h3,5-6,9-10,13-15,31H,4,7-8,11-12,16-17H2,1-2H3,(H,25,29)(H,26,28)
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n/an/a 61n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant C-terminal FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(epsilon-Ac)...


J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50239832
PNG
(CHEMBL4090647)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1
Show InChI InChI=1S/C24H31N3O4/c1-18-13-19(2)15-21(14-18)24(30)27(12-8-4-7-11-22(28)26-31)17-23(29)25-16-20-9-5-3-6-10-20/h3,5-6,9-10,13-15,31H,4,7-8,11-12,16-17H2,1-2H3,(H,25,29)(H,26,28)
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n/an/a 135n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human HDAC6 expressed in baculovirus infected Sf9 insect cells using Z-(Ac)Lys-AMC as substrate measu...


J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/6


(Homo sapiens (Human))
BDBM50239832
PNG
(CHEMBL4090647)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1
Show InChI InChI=1S/C24H31N3O4/c1-18-13-19(2)15-21(14-18)24(30)27(12-8-4-7-11-22(28)26-31)17-23(29)25-16-20-9-5-3-6-10-20/h3,5-6,9-10,13-15,31H,4,7-8,11-12,16-17H2,1-2H3,(H,25,29)(H,26,28)
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n/an/a 350n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2/3/6 in human A2780cisR cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition ...


J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/6


(Homo sapiens (Human))
BDBM50239832
PNG
(CHEMBL4090647)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1
Show InChI InChI=1S/C24H31N3O4/c1-18-13-19(2)15-21(14-18)24(30)27(12-8-4-7-11-22(28)26-31)17-23(29)25-16-20-9-5-3-6-10-20/h3,5-6,9-10,13-15,31H,4,7-8,11-12,16-17H2,1-2H3,(H,25,29)(H,26,28)
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n/an/a 370n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2/3/6 in human Cal27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition meas...


J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/6


(Homo sapiens (Human))
BDBM50239832
PNG
(CHEMBL4090647)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1
Show InChI InChI=1S/C24H31N3O4/c1-18-13-19(2)15-21(14-18)24(30)27(12-8-4-7-11-22(28)26-31)17-23(29)25-16-20-9-5-3-6-10-20/h3,5-6,9-10,13-15,31H,4,7-8,11-12,16-17H2,1-2H3,(H,25,29)(H,26,28)
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n/an/a 410n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2/3/6 in human Cal27CisR cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition ...


J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 1/2/3/6


(Homo sapiens (Human))
BDBM50239832
PNG
(CHEMBL4090647)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1
Show InChI InChI=1S/C24H31N3O4/c1-18-13-19(2)15-21(14-18)24(30)27(12-8-4-7-11-22(28)26-31)17-23(29)25-16-20-9-5-3-6-10-20/h3,5-6,9-10,13-15,31H,4,7-8,11-12,16-17H2,1-2H3,(H,25,29)(H,26,28)
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n/an/a 630n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2/3/6 in human A2780 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition meas...


J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50239832
PNG
(CHEMBL4090647)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1
Show InChI InChI=1S/C24H31N3O4/c1-18-13-19(2)15-21(14-18)24(30)27(12-8-4-7-11-22(28)26-31)17-23(29)25-16-20-9-5-3-6-10-20/h3,5-6,9-10,13-15,31H,4,7-8,11-12,16-17H2,1-2H3,(H,25,29)(H,26,28)
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n/an/a 7.33E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of eel acetylcholinesterase (AChE) activity by 50%


J Med Chem 60: 5493-5506 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00197
BindingDB Entry DOI: 10.7270/Q20P125Z
More data for this
Ligand-Target Pair