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Compile Data Set for Download or QSAR

Found 232 hits with Last Name = 'wiemer' and Initial = 'aj'   
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
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50031853
PNG
(((3E,7E)-4,8,12-Trimethyl-1-phosphono-trideca-3,7,...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]\[#6]=[#6](/P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C16H30O6P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(23(17,18)19)24(20,21)22/h7,9,12,15H,5-6,8,10-11H2,1-4H3,(H2,17,18,19)(H2,20,21,22)/b14-9+
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n/an/a 100n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant GGDPS expressed in BL21 gold bacteria


Bioorg Med Chem 16: 390-9 (2008)


Article DOI: 10.1016/j.bmc.2007.09.029
BindingDB Entry DOI: 10.7270/Q26M37PP
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50031853
PNG
(((3E,7E)-4,8,12-Trimethyl-1-phosphono-trideca-3,7,...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]\[#6]=[#6](/P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C16H30O6P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(23(17,18)19)24(20,21)22/h7,9,12,15H,5-6,8,10-11H2,1-4H3,(H2,17,18,19)(H2,20,21,22)/b14-9+
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n/an/a 100n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GGDPS expressed in BL21 gold bacteria


Bioorg Med Chem 16: 3652-60 (2008)


Article DOI: 10.1016/j.bmc.2008.02.016
BindingDB Entry DOI: 10.7270/Q2TB17RN
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM25270
PNG
([(6E,11E)-2,6,12,16-tetramethyl-9-phosphonoheptade...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]C([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])(P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C21H38O6P2/c1-17(2)9-7-11-19(5)13-15-21(28(22,23)24,29(25,26)27)16-14-20(6)12-8-10-18(3)4/h9-10,13-14H,7-8,11-12,15-16H2,1-6H3,(H2,22,23,24)(H2,25,26,27)/b19-13+,20-14+
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n/an/a 200n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant GGDPS expressed in BL21 gold bacteria


Bioorg Med Chem 16: 390-9 (2008)


Article DOI: 10.1016/j.bmc.2007.09.029
BindingDB Entry DOI: 10.7270/Q26M37PP
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM25270
PNG
([(6E,11E)-2,6,12,16-tetramethyl-9-phosphonoheptade...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]C([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])(P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C21H38O6P2/c1-17(2)9-7-11-19(5)13-15-21(28(22,23)24,29(25,26)27)16-14-20(6)12-8-10-18(3)4/h9-10,13-14H,7-8,11-12,15-16H2,1-6H3,(H2,22,23,24)(H2,25,26,27)/b19-13+,20-14+
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n/an/a 200n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GGDPS expressed in BL21 gold bacteria


Bioorg Med Chem 16: 3652-60 (2008)


Article DOI: 10.1016/j.bmc.2008.02.016
BindingDB Entry DOI: 10.7270/Q2TB17RN
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50375853
PNG
(CHEMBL410064)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]C([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])(P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C26H46O6P2/c1-21(2)11-8-13-23(5)15-10-16-25(7)18-20-26(33(27,28)29,34(30,31)32)19-17-24(6)14-9-12-22(3)4/h11-12,15,17-18H,8-10,13-14,16,19-20H2,1-7H3,(H2,27,28,29)(H2,30,31,32)/b23-15+,24-17+,25-18-
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n/an/a 300n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant GGDPS expressed in BL21 gold bacteria


Bioorg Med Chem 16: 390-9 (2008)


Article DOI: 10.1016/j.bmc.2007.09.029
BindingDB Entry DOI: 10.7270/Q26M37PP
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50375847
PNG
(CHEMBL408792)
Show SMILES [#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]-[#6]-[#6]-[#6](-[#6])\[#6]=[#6](/P([#8-])([#8-])=O)P([#8-])([#8-])=O
Show InChI InChI=1S/C16H30O6P2/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16(23(17,18)19)24(20,21)22/h5,9,12,15H,6-8,10-11H2,1-4H3,(H2,17,18,19)(H2,20,21,22)/p-4/b13-5+,14-9-
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n/an/a 600n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant GGDPS expressed in BL21 gold bacteria


Bioorg Med Chem 16: 390-9 (2008)


Article DOI: 10.1016/j.bmc.2007.09.029
BindingDB Entry DOI: 10.7270/Q26M37PP
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50373186
PNG
(CHEMBL429860)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]\[#6]=[#6](\P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C16H30O6P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(23(17,18)19)24(20,21)22/h7,9,12,15H,5-6,8,10-11H2,1-4H3,(H2,17,18,19)(H2,20,21,22)/b14-9-
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n/an/a 600n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GGDPS expressed in BL21 gold bacteria


Bioorg Med Chem 16: 3652-60 (2008)


Article DOI: 10.1016/j.bmc.2008.02.016
BindingDB Entry DOI: 10.7270/Q2TB17RN
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50375852
PNG
(CHEMBL427733)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]C([#6]\[#6]=[#6](\[#6])-[#6]-[#7]-c1ccccc1-[#6](-[#8])=O)(P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C23H35NO8P2/c1-17(2)8-7-9-18(3)12-14-23(33(27,28)29,34(30,31)32)15-13-19(4)16-24-21-11-6-5-10-20(21)22(25)26/h5-6,8,10-13,24H,7,9,14-16H2,1-4H3,(H,25,26)(H2,27,28,29)(H2,30,31,32)/b18-12+,19-13-
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n/an/a 900n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant GGDPS expressed in BL21 gold bacteria


Bioorg Med Chem 16: 390-9 (2008)


Article DOI: 10.1016/j.bmc.2007.09.029
BindingDB Entry DOI: 10.7270/Q26M37PP
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50375856
PNG
(CHEMBL411030)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]C([#6]\[#6]=[#6](\[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#7]-c1ccccc1-[#6](-[#8])=O)(P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C28H43NO8P2/c1-21(2)10-8-11-22(3)16-18-28(38(32,33)34,39(35,36)37)19-17-23(4)12-9-13-24(5)20-29-26-15-7-6-14-25(26)27(30)31/h6-7,10,13-17,29H,8-9,11-12,18-20H2,1-5H3,(H,30,31)(H2,32,33,34)(H2,35,36,37)/b22-16+,23-17-,24-13+
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n/an/a 900n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant GGDPS expressed in BL21 gold bacteria


Bioorg Med Chem 16: 390-9 (2008)


Article DOI: 10.1016/j.bmc.2007.09.029
BindingDB Entry DOI: 10.7270/Q26M37PP
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50375851
PNG
(CHEMBL264692)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]C([#6]\[#6]=[#6](\[#6])-[#6])(P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C21H38O6P2/c1-17(2)9-7-10-19(5)11-8-12-20(6)14-16-21(28(22,23)24,29(25,26)27)15-13-18(3)4/h9,11,13-14H,7-8,10,12,15-16H2,1-6H3,(H2,22,23,24)(H2,25,26,27)/b19-11+,20-14-
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant GGDPS expressed in BL21 gold bacteria


Bioorg Med Chem 16: 390-9 (2008)


Article DOI: 10.1016/j.bmc.2007.09.029
BindingDB Entry DOI: 10.7270/Q26M37PP
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50534019
PNG
(CHEMBL4587805)
Show SMILES CCOC(=O)NCCCC(=O)NCCC(C)C
Show InChI InChI=1S/C12H24N2O3/c1-4-17-12(16)14-8-5-6-11(15)13-9-7-10(2)3/h10H,4-9H2,1-3H3,(H,13,15)(H,14,16)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50533980
PNG
(CHEMBL4566379)
Show SMILES CCNC(=O)NCCCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C15H23N3O2/c1-2-16-15(20)18-11-6-9-14(19)17-12-10-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,17,19)(H2,16,18,20)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50533981
PNG
(CHEMBL4551646)
Show SMILES CCNC(=O)OCCCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C15H22N2O3/c1-2-16-15(19)20-12-6-9-14(18)17-11-10-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,16,19)(H,17,18)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50533982
PNG
(CHEMBL4214837)
Show SMILES CCOC(=O)NCCCC(=O)NCCc1cccc(F)c1
Show InChI InChI=1S/C15H21FN2O3/c1-2-21-15(20)18-9-4-7-14(19)17-10-8-12-5-3-6-13(16)11-12/h3,5-6,11H,2,4,7-10H2,1H3,(H,17,19)(H,18,20)
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University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50533983
PNG
(CHEMBL4521412)
Show SMILES CCOC(=O)NCCc1ccccc1
Show InChI InChI=1S/C11H15NO2/c1-2-14-11(13)12-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,12,13)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50533984
PNG
(CHEMBL4567347)
Show SMILES FCCOC(=O)NCCCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C15H21FN2O3/c16-9-12-21-15(20)18-10-4-7-14(19)17-11-8-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2,(H,17,19)(H,18,20)
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University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50533985
PNG
(CHEMBL4550173)
Show SMILES CC(=O)NCCCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C14H20N2O2/c1-12(17)15-10-5-8-14(18)16-11-9-13-6-3-2-4-7-13/h2-4,6-7H,5,8-11H2,1H3,(H,15,17)(H,16,18)
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University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50533986
PNG
(CHEMBL4461233)
Show SMILES CCOC(=O)NCCCC(=O)OCCc1ccccc1
Show InChI InChI=1S/C15H21NO4/c1-2-19-15(18)16-11-6-9-14(17)20-12-10-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,16,18)
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University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50533987
PNG
(CHEMBL4540650)
Show SMILES CCOC(=O)NCCCCC(=O)NCc1ccccc1
Show InChI InChI=1S/C15H22N2O3/c1-2-20-15(19)16-11-7-6-10-14(18)17-12-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3,(H,16,19)(H,17,18)
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University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50494415
PNG
(CHEMBL3086767)
Show SMILES CCOC(=O)NCCCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C15H22N2O3/c1-2-20-15(19)17-11-6-9-14(18)16-12-10-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,16,18)(H,17,19)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50494415
PNG
(CHEMBL3086767)
Show SMILES CCOC(=O)NCCCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C15H22N2O3/c1-2-20-15(19)17-11-6-9-14(18)16-12-10-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,16,18)(H,17,19)
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University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50533988
PNG
(CHEMBL4470031)
Show SMILES CCCOC(=O)NCCCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C16H24N2O3/c1-2-13-21-16(20)18-11-6-9-15(19)17-12-10-14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13H2,1H3,(H,17,19)(H,18,20)
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University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50533989
PNG
(CHEMBL4471907)
Show SMILES O=C(CCCNC(=O)OCc1ccccc1)NCCc1ccccc1
Show InChI InChI=1S/C20H24N2O3/c23-19(21-15-13-17-8-3-1-4-9-17)12-7-14-22-20(24)25-16-18-10-5-2-6-11-18/h1-6,8-11H,7,12-16H2,(H,21,23)(H,22,24)
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University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50533990
PNG
(CHEMBL4531462)
Show SMILES COC(=O)NCCCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c1-19-14(18)16-10-5-8-13(17)15-11-9-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,15,17)(H,16,18)
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University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50533991
PNG
(CHEMBL4455296)
Show SMILES CC(C)(C)OC(=O)NCCCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C17H26N2O3/c1-17(2,3)22-16(21)19-12-7-10-15(20)18-13-11-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3,(H,18,20)(H,19,21)
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University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50533992
PNG
(CHEMBL4461788)
Show SMILES O=C(CCCNC(=O)OCC#C)NCCc1ccccc1
Show InChI InChI=1S/C16H20N2O3/c1-2-13-21-16(20)18-11-6-9-15(19)17-12-10-14-7-4-3-5-8-14/h1,3-5,7-8H,6,9-13H2,(H,17,19)(H,18,20)
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University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50533993
PNG
(CHEMBL4556444)
Show SMILES CCOC(=S)NCCCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C15H22N2O2S/c1-2-19-15(20)17-11-6-9-14(18)16-12-10-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,16,18)(H,17,20)
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University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50533994
PNG
(CHEMBL4535035)
Show SMILES O=C(CCCNC(=S)N1CCCC1=O)NCCc1ccccc1
Show InChI InChI=1S/C17H23N3O2S/c21-15(18-12-10-14-6-2-1-3-7-14)8-4-11-19-17(23)20-13-5-9-16(20)22/h1-3,6-7H,4-5,8-13H2,(H,18,21)(H,19,23)
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University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50533995
PNG
(CHEMBL4566877)
Show SMILES CCCC(=O)NCCCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C16H24N2O2/c1-2-7-15(19)17-12-6-10-16(20)18-13-11-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13H2,1H3,(H,17,19)(H,18,20)
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University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50533996
PNG
(CHEMBL4455891)
Show SMILES CC(C)(C)CC(=O)NCCCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C18H28N2O2/c1-18(2,3)14-17(22)19-12-7-10-16(21)20-13-11-15-8-5-4-6-9-15/h4-6,8-9H,7,10-14H2,1-3H3,(H,19,22)(H,20,21)
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University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50533997
PNG
(CHEMBL4557998)
Show SMILES O=C(CCCNC(=O)c1ccccc1)NCCc1ccccc1
Show InChI InChI=1S/C19H22N2O2/c22-18(20-15-13-16-8-3-1-4-9-16)12-7-14-21-19(23)17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H,20,22)(H,21,23)
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University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50533998
PNG
(CHEMBL4568072)
Show SMILES CC(=O)SCCC(=O)NCCCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C17H24N2O3S/c1-14(20)23-13-10-17(22)18-11-5-8-16(21)19-12-9-15-6-3-2-4-7-15/h2-4,6-7H,5,8-13H2,1H3,(H,18,22)(H,19,21)
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University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50533999
PNG
(CHEMBL4447832)
Show SMILES CCOC(=O)NCCCC(=O)Nc1nccs1
Show InChI InChI=1S/C10H15N3O3S/c1-2-16-10(15)12-5-3-4-8(14)13-9-11-6-7-17-9/h6-7H,2-5H2,1H3,(H,12,15)(H,11,13,14)
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University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50534000
PNG
(CHEMBL4471401)
Show SMILES CCOC(=O)NCCCC(=O)Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H18N4O5S/c1-2-25-16(22)17-8-4-7-14(21)19-15-18-13(10-26-15)11-5-3-6-12(9-11)20(23)24/h3,5-6,9-10H,2,4,7-8H2,1H3,(H,17,22)(H,18,19,21)
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University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50534001
PNG
(CHEMBL4563663)
Show SMILES CCOC(=O)NCCCC(=O)NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C15H21ClN2O3/c1-2-21-15(20)18-10-3-4-14(19)17-11-9-12-5-7-13(16)8-6-12/h5-8H,2-4,9-11H2,1H3,(H,17,19)(H,18,20)
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University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50534002
PNG
(CHEMBL4551616)
Show SMILES CCOC(=O)NCCCC(=O)NCCc1cccc(Cl)c1
Show InChI InChI=1S/C15H21ClN2O3/c1-2-21-15(20)18-9-4-7-14(19)17-10-8-12-5-3-6-13(16)11-12/h3,5-6,11H,2,4,7-10H2,1H3,(H,17,19)(H,18,20)
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University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50534003
PNG
(CHEMBL4550276)
Show SMILES CCOC(=O)NCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)OC |r|
Show InChI InChI=1S/C17H24N2O5/c1-3-24-17(22)18-11-7-10-15(20)19-14(16(21)23-2)12-13-8-5-4-6-9-13/h4-6,8-9,14H,3,7,10-12H2,1-2H3,(H,18,22)(H,19,20)/t14-/m0/s1
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University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50534004
PNG
(CHEMBL4466433)
Show SMILES CCOC(=O)NCCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c1-2-19-14(18)16-11-9-13(17)15-10-8-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,15,17)(H,16,18)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50534005
PNG
(CHEMBL4581129)
Show SMILES CCOC(=O)NCCCCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C16H24N2O3/c1-2-21-16(20)18-12-7-6-10-15(19)17-13-11-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13H2,1H3,(H,17,19)(H,18,20)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50534006
PNG
(CHEMBL4545106)
Show SMILES CCOC(=O)NCCCCCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C17H26N2O3/c1-2-22-17(21)19-13-8-4-7-11-16(20)18-14-12-15-9-5-3-6-10-15/h3,5-6,9-10H,2,4,7-8,11-14H2,1H3,(H,18,20)(H,19,21)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50534007
PNG
(CHEMBL4457810)
Show SMILES CCOC(=O)NCCC(=O)NCCCCc1ccccc1
Show InChI InChI=1S/C16H24N2O3/c1-2-21-16(20)18-13-11-15(19)17-12-7-6-10-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13H2,1H3,(H,17,19)(H,18,20)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50534008
PNG
(CHEMBL4452432)
Show SMILES CCOC(=O)NCC(=O)NCCCCc1ccccc1
Show InChI InChI=1S/C15H22N2O3/c1-2-20-15(19)17-12-14(18)16-11-7-6-10-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3,(H,16,18)(H,17,19)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50534009
PNG
(CHEMBL4458837)
Show SMILES CCCCOC(=O)NCCCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C17H26N2O3/c1-2-3-14-22-17(21)19-12-7-10-16(20)18-13-11-15-8-5-4-6-9-15/h4-6,8-9H,2-3,7,10-14H2,1H3,(H,18,20)(H,19,21)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50534010
PNG
(CHEMBL4470442)
Show SMILES C=CCOC(=O)NCCCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C16H22N2O3/c1-2-13-21-16(20)18-11-6-9-15(19)17-12-10-14-7-4-3-5-8-14/h2-5,7-8H,1,6,9-13H2,(H,17,19)(H,18,20)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50534011
PNG
(CHEMBL4446339)
Show SMILES CCSC(=O)NCCCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C15H22N2O2S/c1-2-20-15(19)17-11-6-9-14(18)16-12-10-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,16,18)(H,17,19)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50534012
PNG
(CHEMBL4462535)
Show SMILES CCC(=O)NCCCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C15H22N2O2/c1-2-14(18)16-11-6-9-15(19)17-12-10-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,16,18)(H,17,19)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50534013
PNG
(CHEMBL4571753)
Show SMILES CCOC(=O)NCCCC(=O)NCCNC(=O)OC(C)(C)C
Show InChI InChI=1S/C14H27N3O5/c1-5-21-12(19)16-8-6-7-11(18)15-9-10-17-13(20)22-14(2,3)4/h5-10H2,1-4H3,(H,15,18)(H,16,19)(H,17,20)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50534014
PNG
(CHEMBL4466873)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-c1ccc(-[#6]-[#8][Si;v4]([#6])([#6])C([#6])([#6])[#6])cc1
Show InChI InChI=1S/C20H34N2O4Si/c1-7-25-19(24)21-14-8-9-18(23)22-17-12-10-16(11-13-17)15-26-27(5,6)20(2,3)4/h10-13H,7-9,14-15H2,1-6H3,(H,21,24)(H,22,23)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50534015
PNG
(CHEMBL4452561)
Show SMILES CCOC(=O)NCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C13H18N2O3/c1-2-18-13(17)15-10-12(16)14-9-8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,14,16)(H,15,17)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50534016
PNG
(CHEMBL4454472)
Show SMILES CCOC(=O)NCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C15H22N2O3/c1-2-20-15(19)16-12-8-4-7-11-14(18)17-13-9-5-3-6-10-13/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3,(H,16,19)(H,17,18)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluor...


Bioorg Med Chem 24: 5183-5196 (2016)


Article DOI: 10.1016/j.bmc.2016.08.040
BindingDB Entry DOI: 10.7270/Q29C71WX
More data for this
Ligand-Target Pair
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