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PubMed code 22165909

Compile data set for download or QSAR
Found 48 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))
BDBM50380385
PNG
(CHEMBL2018447)
Show SMILES NC(=O)CCN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C22H24N4O3/c23-21(27)10-12-25-11-9-20-18(14-25)17-3-1-2-4-19(17)26(20)13-15-5-7-16(8-6-15)22(28)24-29/h1-8,29H,9-14H2,(H2,23,27)(H,24,28)
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n/an/a 0.459n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50380391
PNG
(CHEMBL2018446)
Show SMILES ONC(=O)c1ccc(Cn2c3CCN(Cc4ccncc4)Cc3c3ccccc23)cc1
Show InChI InChI=1S/C25H24N4O2/c30-25(27-31)20-7-5-18(6-8-20)16-29-23-4-2-1-3-21(23)22-17-28(14-11-24(22)29)15-19-9-12-26-13-10-19/h1-10,12-13,31H,11,14-17H2,(H,27,30)
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n/an/a 0.582n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50380400
PNG
(CHEMBL2018301)
Show SMILES CN1CCc2c(C1)c1cc(Br)ccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H20BrN3O2/c1-23-9-8-19-17(12-23)16-10-15(21)6-7-18(16)24(19)11-13-2-4-14(5-3-13)20(25)22-26/h2-7,10,26H,8-9,11-12H2,1H3,(H,22,25)
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n/an/a 0.704n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50380390
PNG
(CHEMBL2018448)
Show SMILES NC(=O)CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C21H22N4O3/c22-20(26)13-24-10-9-19-17(12-24)16-3-1-2-4-18(16)25(19)11-14-5-7-15(8-6-14)21(27)23-28/h1-8,28H,9-13H2,(H2,22,26)(H,23,27)
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n/an/a 0.799n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50380386
PNG
(CHEMBL2018452)
Show SMILES ONC(=O)c1ccc(Cn2c3CN(Cc4ccccc4)CCc3c3ccccc23)cc1
Show InChI InChI=1S/C26H25N3O2/c30-26(27-31)21-12-10-20(11-13-21)17-29-24-9-5-4-8-22(24)23-14-15-28(18-25(23)29)16-19-6-2-1-3-7-19/h1-13,31H,14-18H2,(H,27,30)
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n/an/a 0.872n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50380384
PNG
(CHEMBL2018442)
Show SMILES ONC(=O)c1ccc(Cn2c3CCN(CC=C)Cc3c3ccccc23)cc1
Show InChI InChI=1S/C22H23N3O2/c1-2-12-24-13-11-21-19(15-24)18-5-3-4-6-20(18)25(21)14-16-7-9-17(10-8-16)22(26)23-27/h2-10,27H,1,11-15H2,(H,23,26)
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n/an/a 0.972n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50380401
PNG
(CHEMBL2018300)
Show SMILES CN1CCc2c(C1)c1cc(Cl)ccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H20ClN3O2/c1-23-9-8-19-17(12-23)16-10-15(21)6-7-18(16)24(19)11-13-2-4-14(5-3-13)20(25)22-26/h2-7,10,26H,8-9,11-12H2,1H3,(H,22,25)
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n/an/a 1.02n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50380387
PNG
(CHEMBL2018451)
Show SMILES CN1CCc2c(C1)n(Cc1ccc(cc1)C(=O)NO)c1ccccc21
Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-17-16-4-2-3-5-18(16)23(19(17)13-22)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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n/an/a 1.40n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50380394
PNG
(CHEMBL2018443)
Show SMILES ONC(=O)c1ccc(Cn2c3CCN(Cc4ccccc4)Cc3c3ccccc23)cc1
Show InChI InChI=1S/C26H25N3O2/c30-26(27-31)21-12-10-20(11-13-21)17-29-24-9-5-4-8-22(24)23-18-28(15-14-25(23)29)16-19-6-2-1-3-7-19/h1-13,31H,14-18H2,(H,27,30)
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n/an/a 1.44n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50380398
PNG
(CHEMBL2018303)
Show SMILES CC(C)(C)OC(=O)N1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C24H27N3O4/c1-24(2,3)31-23(29)26-13-12-21-19(15-26)18-6-4-5-7-20(18)27(21)14-16-8-10-17(11-9-16)22(28)25-30/h4-11,30H,12-15H2,1-3H3,(H,25,28)
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n/an/a 2.25n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50380388
PNG
(CHEMBL2018450)
Show SMILES ONC(=O)c1ccc(Cn2c3CNCCc3c3ccccc23)cc1
Show InChI InChI=1S/C19H19N3O2/c23-19(21-24)14-7-5-13(6-8-14)12-22-17-4-2-1-3-15(17)16-9-10-20-11-18(16)22/h1-8,20,24H,9-12H2,(H,21,23)
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n/an/a 2.49n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50380393
PNG
(CHEMBL2018444)
Show SMILES COc1cccc(CN2CCc3c(C2)c2ccccc2n3Cc2ccc(cc2)C(=O)NO)c1
Show InChI InChI=1S/C27H27N3O3/c1-33-22-6-4-5-20(15-22)16-29-14-13-26-24(18-29)23-7-2-3-8-25(23)30(26)17-19-9-11-21(12-10-19)27(31)28-32/h2-12,15,32H,13-14,16-18H2,1H3,(H,28,31)
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n/an/a 2.96n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50380396
PNG
(CHEMBL2018305)
Show SMILES CCN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C21H23N3O2/c1-2-23-12-11-20-18(14-23)17-5-3-4-6-19(17)24(20)13-15-7-9-16(10-8-15)21(25)22-26/h3-10,26H,2,11-14H2,1H3,(H,22,25)
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n/an/a 2.99n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50380392
PNG
(CHEMBL2018445)
Show SMILES COc1ccc(CN2CCc3c(C2)c2ccccc2n3Cc2ccc(cc2)C(=O)NO)cc1
Show InChI InChI=1S/C27H27N3O3/c1-33-22-12-8-19(9-13-22)16-29-15-14-26-24(18-29)23-4-2-3-5-25(23)30(26)17-20-6-10-21(11-7-20)27(31)28-32/h2-13,32H,14-18H2,1H3,(H,28,31)
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n/an/a 3.05n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50380402
PNG
(CHEMBL2018299)
Show SMILES COc1ccc2n(Cc3ccc(cc3)C(=O)NO)c3CCN(C)Cc3c2c1
Show InChI InChI=1S/C21H23N3O3/c1-23-10-9-20-18(13-23)17-11-16(27-2)7-8-19(17)24(20)12-14-3-5-15(6-4-14)21(25)22-26/h3-8,11,26H,9-10,12-13H2,1-2H3,(H,22,25)
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n/an/a 3.06n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50380389
PNG
(CHEMBL2018449)
Show SMILES NC(=O)CCCN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C23H26N4O3/c24-22(28)6-3-12-26-13-11-21-19(15-26)18-4-1-2-5-20(18)27(21)14-16-7-9-17(10-8-16)23(29)25-30/h1-2,4-5,7-10,30H,3,6,11-15H2,(H2,24,28)(H,25,29)
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n/an/a 4.06n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50380405
PNG
(CHEMBL2018296)
Show SMILES CN1CCc2c(C1)c1cc(C)ccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C21H23N3O2/c1-14-3-8-19-17(11-14)18-13-23(2)10-9-20(18)24(19)12-15-4-6-16(7-5-15)21(25)22-26/h3-8,11,26H,9-10,12-13H2,1-2H3,(H,22,25)
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n/an/a 4.90n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50380397
PNG
(CHEMBL2018304)
Show SMILES ONC(=O)c1ccc(Cn2c3CCNCc3c3ccccc23)cc1
Show InChI InChI=1S/C19H19N3O2/c23-19(21-24)14-7-5-13(6-8-14)12-22-17-4-2-1-3-15(17)16-11-20-10-9-18(16)22/h1-8,20,24H,9-12H2,(H,21,23)
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n/an/a 6.56n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50380395
PNG
(CHEMBL2018441)
Show SMILES CC(C)N1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C22H25N3O2/c1-15(2)24-12-11-21-19(14-24)18-5-3-4-6-20(18)25(21)13-16-7-9-17(10-8-16)22(26)23-27/h3-10,15,27H,11-14H2,1-2H3,(H,23,26)
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n/an/a 8.96n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50380406
PNG
(CHEMBL2018295)
Show SMILES CN1CCc2c(C1)c1ccc(C)cc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C21H23N3O2/c1-14-3-8-17-18-13-23(2)10-9-19(18)24(20(17)11-14)12-15-4-6-16(7-5-15)21(25)22-26/h3-8,11,26H,9-10,12-13H2,1-2H3,(H,22,25)
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n/an/a 11.5n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US8748451, 6 | US92...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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n/an/a 15n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50380403
PNG
(CHEMBL2018298)
Show SMILES CN1CCc2c(C1)c1cc(ccc1n2Cc1ccc(cc1)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C24H29N3O2/c1-24(2,3)18-9-10-21-19(13-18)20-15-26(4)12-11-22(20)27(21)14-16-5-7-17(8-6-16)23(28)25-29/h5-10,13,29H,11-12,14-15H2,1-4H3,(H,25,28)
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n/an/a 22.5n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50380407
PNG
(CHEMBL2018294)
Show SMILES CN1CCc2c(C1)c1cccc(C)c1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C21H23N3O2/c1-14-4-3-5-17-18-13-23(2)11-10-19(18)24(20(14)17)12-15-6-8-16(9-7-15)21(25)22-26/h3-9,26H,10-13H2,1-2H3,(H,22,25)
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n/an/a 34.7n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50380404
PNG
(CHEMBL2018297)
Show SMILES CN1CCc2c(C1)c1c(C)cc(C)cc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C22H25N3O2/c1-14-10-15(2)21-18-13-24(3)9-8-19(18)25(20(21)11-14)12-16-4-6-17(7-5-16)22(26)23-27/h4-7,10-11,27H,8-9,12-13H2,1-3H3,(H,23,26)
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n/an/a 38.4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50380400
PNG
(CHEMBL2018301)
Show SMILES CN1CCc2c(C1)c1cc(Br)ccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H20BrN3O2/c1-23-9-8-19-17(12-23)16-10-15(21)6-7-18(16)24(19)11-13-2-4-14(5-3-13)20(25)22-26/h2-7,10,26H,8-9,11-12H2,1H3,(H,22,25)
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n/an/a 427n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50380401
PNG
(CHEMBL2018300)
Show SMILES CN1CCc2c(C1)c1cc(Cl)ccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H20ClN3O2/c1-23-9-8-19-17(12-23)16-10-15(21)6-7-18(16)24(19)11-13-2-4-14(5-3-13)20(25)22-26/h2-7,10,26H,8-9,11-12H2,1H3,(H,22,25)
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n/an/a 1.02E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50380385
PNG
(CHEMBL2018447)
Show SMILES NC(=O)CCN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C22H24N4O3/c23-21(27)10-12-25-11-9-20-18(14-25)17-3-1-2-4-19(17)26(20)13-15-5-7-16(8-6-15)22(28)24-29/h1-8,29H,9-14H2,(H2,23,27)(H,24,28)
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n/an/a 1.61E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50380402
PNG
(CHEMBL2018299)
Show SMILES COc1ccc2n(Cc3ccc(cc3)C(=O)NO)c3CCN(C)Cc3c2c1
Show InChI InChI=1S/C21H23N3O3/c1-23-10-9-20-18(13-23)17-11-16(27-2)7-8-19(17)24(20)12-14-3-5-15(6-4-14)21(25)22-26/h3-8,11,26H,9-10,12-13H2,1-2H3,(H,22,25)
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n/an/a 1.88E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50380405
PNG
(CHEMBL2018296)
Show SMILES CN1CCc2c(C1)c1cc(C)ccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C21H23N3O2/c1-14-3-8-19-17(11-14)18-13-23(2)10-9-20(18)24(19)12-15-4-6-16(7-5-15)21(25)22-26/h3-8,11,26H,9-10,12-13H2,1-2H3,(H,22,25)
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n/an/a 2.07E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50380391
PNG
(CHEMBL2018446)
Show SMILES ONC(=O)c1ccc(Cn2c3CCN(Cc4ccncc4)Cc3c3ccccc23)cc1
Show InChI InChI=1S/C25H24N4O2/c30-25(27-31)20-7-5-18(6-8-20)16-29-23-4-2-1-3-21(23)22-17-28(14-11-24(22)29)15-19-9-12-26-13-10-19/h1-10,12-13,31H,11,14-17H2,(H,27,30)
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n/an/a 2.74E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50380390
PNG
(CHEMBL2018448)
Show SMILES NC(=O)CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C21H22N4O3/c22-20(26)13-24-10-9-19-17(12-24)16-3-1-2-4-18(16)25(19)11-14-5-7-15(8-6-14)21(27)23-28/h1-8,28H,9-13H2,(H2,22,26)(H,23,27)
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n/an/a 3.98E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50380406
PNG
(CHEMBL2018295)
Show SMILES CN1CCc2c(C1)c1ccc(C)cc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C21H23N3O2/c1-14-3-8-17-18-13-23(2)10-9-19(18)24(20(17)11-14)12-15-4-6-16(7-5-15)21(25)22-26/h3-8,11,26H,9-10,12-13H2,1-2H3,(H,22,25)
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n/an/a 4.05E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50380386
PNG
(CHEMBL2018452)
Show SMILES ONC(=O)c1ccc(Cn2c3CN(Cc4ccccc4)CCc3c3ccccc23)cc1
Show InChI InChI=1S/C26H25N3O2/c30-26(27-31)21-12-10-20(11-13-21)17-29-24-9-5-4-8-22(24)23-14-15-28(18-25(23)29)16-19-6-2-1-3-7-19/h1-13,31H,14-18H2,(H,27,30)
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n/an/a 4.32E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50380392
PNG
(CHEMBL2018445)
Show SMILES COc1ccc(CN2CCc3c(C2)c2ccccc2n3Cc2ccc(cc2)C(=O)NO)cc1
Show InChI InChI=1S/C27H27N3O3/c1-33-22-12-8-19(9-13-22)16-29-15-14-26-24(18-29)23-4-2-3-5-25(23)30(26)17-20-6-10-21(11-7-20)27(31)28-32/h2-13,32H,14-18H2,1H3,(H,28,31)
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n/an/a 4.64E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50380387
PNG
(CHEMBL2018451)
Show SMILES CN1CCc2c(C1)n(Cc1ccc(cc1)C(=O)NO)c1ccccc21
Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-17-16-4-2-3-5-18(16)23(19(17)13-22)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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n/an/a 5.18E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50380393
PNG
(CHEMBL2018444)
Show SMILES COc1cccc(CN2CCc3c(C2)c2ccccc2n3Cc2ccc(cc2)C(=O)NO)c1
Show InChI InChI=1S/C27H27N3O3/c1-33-22-6-4-5-20(15-22)16-29-14-13-26-24(18-29)23-7-2-3-8-25(23)30(26)17-19-9-11-21(12-10-19)27(31)28-32/h2-12,15,32H,13-14,16-18H2,1H3,(H,28,31)
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n/an/a 5.19E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50380384
PNG
(CHEMBL2018442)
Show SMILES ONC(=O)c1ccc(Cn2c3CCN(CC=C)Cc3c3ccccc23)cc1
Show InChI InChI=1S/C22H23N3O2/c1-2-12-24-13-11-21-19(15-24)18-5-3-4-6-20(18)25(21)14-16-7-9-17(10-8-16)22(26)23-27/h2-10,27H,1,11-15H2,(H,23,26)
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n/an/a 5.82E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50380389
PNG
(CHEMBL2018449)
Show SMILES NC(=O)CCCN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C23H26N4O3/c24-22(28)6-3-12-26-13-11-21-19(15-26)18-4-1-2-5-20(18)27(21)14-16-7-9-17(10-8-16)23(29)25-30/h1-2,4-5,7-10,30H,3,6,11-15H2,(H2,24,28)(H,25,29)
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n/an/a 7.45E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50380398
PNG
(CHEMBL2018303)
Show SMILES CC(C)(C)OC(=O)N1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C24H27N3O4/c1-24(2,3)31-23(29)26-13-12-21-19(15-26)18-6-4-5-7-20(18)27(21)14-16-8-10-17(11-9-16)22(28)25-30/h4-11,30H,12-15H2,1-3H3,(H,25,28)
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n/an/a 8.62E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50380388
PNG
(CHEMBL2018450)
Show SMILES ONC(=O)c1ccc(Cn2c3CNCCc3c3ccccc23)cc1
Show InChI InChI=1S/C19H19N3O2/c23-19(21-24)14-7-5-13(6-8-14)12-22-17-4-2-1-3-15(17)16-9-10-20-11-18(16)22/h1-8,20,24H,9-12H2,(H,21,23)
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n/an/a 9.70E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50380396
PNG
(CHEMBL2018305)
Show SMILES CCN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C21H23N3O2/c1-2-23-12-11-20-18(14-23)17-5-3-4-6-19(17)24(20)13-15-7-9-16(10-8-15)21(25)22-26/h3-10,26H,2,11-14H2,1H3,(H,22,25)
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n/an/a 1.02E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50380394
PNG
(CHEMBL2018443)
Show SMILES ONC(=O)c1ccc(Cn2c3CCN(Cc4ccccc4)Cc3c3ccccc23)cc1
Show InChI InChI=1S/C26H25N3O2/c30-26(27-31)21-12-10-20(11-13-21)17-29-24-9-5-4-8-22(24)23-18-28(15-14-25(23)29)16-19-6-2-1-3-7-19/h1-13,31H,14-18H2,(H,27,30)
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n/an/a 1.03E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50380404
PNG
(CHEMBL2018297)
Show SMILES CN1CCc2c(C1)c1c(C)cc(C)cc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C22H25N3O2/c1-14-10-15(2)21-18-13-24(3)9-8-19(18)25(20(21)11-14)12-16-4-6-17(7-5-16)22(26)23-27/h4-7,10-11,27H,8-9,12-13H2,1-3H3,(H,23,26)
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n/an/a 1.03E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50380403
PNG
(CHEMBL2018298)
Show SMILES CN1CCc2c(C1)c1cc(ccc1n2Cc1ccc(cc1)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C24H29N3O2/c1-24(2,3)18-9-10-21-19(13-18)20-15-26(4)12-11-22(20)27(21)14-16-5-7-17(8-6-16)23(28)25-29/h5-10,13,29H,11-12,14-15H2,1-4H3,(H,25,28)
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n/an/a 1.41E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50380395
PNG
(CHEMBL2018441)
Show SMILES CC(C)N1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C22H25N3O2/c1-15(2)24-12-11-21-19(14-24)18-5-3-4-6-20(18)25(21)13-16-7-9-17(10-8-16)22(26)23-27/h3-10,15,27H,11-14H2,1-2H3,(H,23,26)
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n/an/a 1.57E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US8748451, 6 | US92...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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n/an/a 1.64E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50380397
PNG
(CHEMBL2018304)
Show SMILES ONC(=O)c1ccc(Cn2c3CCNCc3c3ccccc23)cc1
Show InChI InChI=1S/C19H19N3O2/c23-19(21-24)14-7-5-13(6-8-14)12-22-17-4-2-1-3-15(17)16-11-20-10-9-18(16)22/h1-8,20,24H,9-12H2,(H,21,23)
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n/an/a 1.64E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50380407
PNG
(CHEMBL2018294)
Show SMILES CN1CCc2c(C1)c1cccc(C)c1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C21H23N3O2/c1-14-4-3-5-17-18-13-23(2)11-10-19(18)24(20(14)17)12-15-6-8-16(9-7-15)21(25)22-26/h3-9,26H,10-13H2,1-2H3,(H,22,25)
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n/an/a 2.21E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs


J Med Chem 55: 639-51 (2012)


Article DOI: 10.1021/jm200773h
BindingDB Entry DOI: 10.7270/Q2CJ8FG7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%