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Compile Data Set for Download or QSAR

Found 11 hits of ic50 for monomerid = 50005744   
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 2


(Homo sapiens (Human))
BDBM50005744
PNG
(CHEMBL3235463)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 |TLB:22:23:21.20.26:27,THB:22:21:23.28.24:27,24:23:20:26.25.27,24:25:22.23.28:20|
Show InChI InChI=1S/C25H27NO3/c27-23-7-6-21(20-4-1-16(2-5-20)3-8-24(28)26-29)12-22(23)25-13-17-9-18(14-25)11-19(10-17)15-25/h1-8,12,17-19,27,29H,9-11,13-15H2,(H,26,28)/b8-3+
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n/an/a 2.64E+3n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 in human HeLa cells using KI-104 as substrate after 40 mins by fluorescence analysis


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50005744
PNG
(CHEMBL3235463)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 |TLB:22:23:21.20.26:27,THB:22:21:23.28.24:27,24:23:20:26.25.27,24:25:22.23.28:20|
Show InChI InChI=1S/C25H27NO3/c27-23-7-6-21(20-4-1-16(2-5-20)3-8-24(28)26-29)12-22(23)25-13-17-9-18(14-25)11-19(10-17)15-25/h1-8,12,17-19,27,29H,9-11,13-15H2,(H,26,28)/b8-3+
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n/an/a 2.80E+3n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using fluorogenic tetrapeptide RHKKAc as substrate


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50005744
PNG
(CHEMBL3235463)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 |TLB:22:23:21.20.26:27,THB:22:21:23.28.24:27,24:23:20:26.25.27,24:25:22.23.28:20|
Show InChI InChI=1S/C25H27NO3/c27-23-7-6-21(20-4-1-16(2-5-20)3-8-24(28)26-29)12-22(23)25-13-17-9-18(14-25)11-19(10-17)15-25/h1-8,12,17-19,27,29H,9-11,13-15H2,(H,26,28)/b8-3+
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n/an/a 6.96E+3n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 using fluorogenic tetrapeptide RHKKAc as substrate


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50005744
PNG
(CHEMBL3235463)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 |TLB:22:23:21.20.26:27,THB:22:21:23.28.24:27,24:23:20:26.25.27,24:25:22.23.28:20|
Show InChI InChI=1S/C25H27NO3/c27-23-7-6-21(20-4-1-16(2-5-20)3-8-24(28)26-29)12-22(23)25-13-17-9-18(14-25)11-19(10-17)15-25/h1-8,12,17-19,27,29H,9-11,13-15H2,(H,26,28)/b8-3+
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n/an/a 4.10E+4n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 using fluorogenic tetrapeptide RHKKAc as substrate


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50005744
PNG
(CHEMBL3235463)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 |TLB:22:23:21.20.26:27,THB:22:21:23.28.24:27,24:23:20:26.25.27,24:25:22.23.28:20|
Show InChI InChI=1S/C25H27NO3/c27-23-7-6-21(20-4-1-16(2-5-20)3-8-24(28)26-29)12-22(23)25-13-17-9-18(14-25)11-19(10-17)15-25/h1-8,12,17-19,27,29H,9-11,13-15H2,(H,26,28)/b8-3+
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n/an/a 5.60E+4n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of human HDAC3 complexed with NCOR2 using fluorogenic tetrapeptide RHKKAc as susbtrate


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50005744
PNG
(CHEMBL3235463)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 |TLB:22:23:21.20.26:27,THB:22:21:23.28.24:27,24:23:20:26.25.27,24:25:22.23.28:20|
Show InChI InChI=1S/C25H27NO3/c27-23-7-6-21(20-4-1-16(2-5-20)3-8-24(28)26-29)12-22(23)25-13-17-9-18(14-25)11-19(10-17)15-25/h1-8,12,17-19,27,29H,9-11,13-15H2,(H,26,28)/b8-3+
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n/an/a 5.70E+4n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11 using fluorogenic tetrapeptide RHKKAc as substrate


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50005744
PNG
(CHEMBL3235463)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 |TLB:22:23:21.20.26:27,THB:22:21:23.28.24:27,24:23:20:26.25.27,24:25:22.23.28:20|
Show InChI InChI=1S/C25H27NO3/c27-23-7-6-21(20-4-1-16(2-5-20)3-8-24(28)26-29)12-22(23)25-13-17-9-18(14-25)11-19(10-17)15-25/h1-8,12,17-19,27,29H,9-11,13-15H2,(H,26,28)/b8-3+
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n/an/a 6.10E+4n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4 using fluorogenic tetrapeptide RHKKAc as substrate


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50005744
PNG
(CHEMBL3235463)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 |TLB:22:23:21.20.26:27,THB:22:21:23.28.24:27,24:23:20:26.25.27,24:25:22.23.28:20|
Show InChI InChI=1S/C25H27NO3/c27-23-7-6-21(20-4-1-16(2-5-20)3-8-24(28)26-29)12-22(23)25-13-17-9-18(14-25)11-19(10-17)15-25/h1-8,12,17-19,27,29H,9-11,13-15H2,(H,26,28)/b8-3+
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n/an/a 7.50E+4n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of human HDAC7 using fluorogenic tetrapeptide RHKKAc as substrate


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50005744
PNG
(CHEMBL3235463)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 |TLB:22:23:21.20.26:27,THB:22:21:23.28.24:27,24:23:20:26.25.27,24:25:22.23.28:20|
Show InChI InChI=1S/C25H27NO3/c27-23-7-6-21(20-4-1-16(2-5-20)3-8-24(28)26-29)12-22(23)25-13-17-9-18(14-25)11-19(10-17)15-25/h1-8,12,17-19,27,29H,9-11,13-15H2,(H,26,28)/b8-3+
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n/an/a 7.80E+4n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of human HDAC5 using fluorogenic tetrapeptide RHKKAc as substrate


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50005744
PNG
(CHEMBL3235463)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 |TLB:22:23:21.20.26:27,THB:22:21:23.28.24:27,24:23:20:26.25.27,24:25:22.23.28:20|
Show InChI InChI=1S/C25H27NO3/c27-23-7-6-21(20-4-1-16(2-5-20)3-8-24(28)26-29)12-22(23)25-13-17-9-18(14-25)11-19(10-17)15-25/h1-8,12,17-19,27,29H,9-11,13-15H2,(H,26,28)/b8-3+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of human HDAC10 using fluorogenic tetrapeptide RHKKAc as substrate


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50005744
PNG
(CHEMBL3235463)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 |TLB:22:23:21.20.26:27,THB:22:21:23.28.24:27,24:23:20:26.25.27,24:25:22.23.28:20|
Show InChI InChI=1S/C25H27NO3/c27-23-7-6-21(20-4-1-16(2-5-20)3-8-24(28)26-29)12-22(23)25-13-17-9-18(14-25)11-19(10-17)15-25/h1-8,12,17-19,27,29H,9-11,13-15H2,(H,26,28)/b8-3+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 using fluorogenic tetrapeptide RHKKAc as substrate


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair