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PubMed code 25182565

Compile data set for download or QSAR
Found 21 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 1


(Homo sapiens (Human))
BDBM50024678
PNG
(CHEMBL3335006)
Show SMILES CCN(CC)Cc1ccc2cc(CN3CCN(C3=O)c3ccc(cc3)C(=O)NO)ccc2c1
Show InChI InChI=1S/C26H30N4O3/c1-3-28(4-2)17-19-5-7-23-16-20(6-8-22(23)15-19)18-29-13-14-30(26(29)32)24-11-9-21(10-12-24)25(31)27-33/h5-12,15-16,33H,3-4,13-14,17-18H2,1-2H3,(H,27,31)
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n/an/a 2.70n/an/an/an/an/an/a



Shanghai Huilun Life Sciences& Technology Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using Boc-Lys(Ac)-AMC as substrate by fluorescence assay


Bioorg Med Chem Lett 24: 4768-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.080
BindingDB Entry DOI: 10.7270/Q2J67JG6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50024680
PNG
(CHEMBL3335008)
Show SMILES Cn1cc(CCN2CCN(C2=O)c2ccc(cc2)C(=O)NO)c2ccccc12
Show InChI InChI=1S/C21H22N4O3/c1-23-14-16(18-4-2-3-5-19(18)23)10-11-24-12-13-25(21(24)27)17-8-6-15(7-9-17)20(26)22-28/h2-9,14,28H,10-13H2,1H3,(H,22,26)
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n/an/a 4n/an/an/an/an/an/a



Shanghai Huilun Life Sciences& Technology Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using Boc-Lys(Ac)-AMC as substrate by fluorescence assay


Bioorg Med Chem Lett 24: 4768-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.080
BindingDB Entry DOI: 10.7270/Q2J67JG6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50024677
PNG
(CHEMBL3335005)
Show SMILES ONC(=O)c1ccc(cc1)N1CCN(Cc2cccc3ncccc23)C1=O
Show InChI InChI=1S/C20H18N4O3/c25-19(22-27)14-6-8-16(9-7-14)24-12-11-23(20(24)26)13-15-3-1-5-18-17(15)4-2-10-21-18/h1-10,27H,11-13H2,(H,22,25)
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n/an/a 5.40n/an/an/an/an/an/a



Shanghai Huilun Life Sciences& Technology Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using Boc-Lys(Ac)-AMC as substrate by fluorescence assay


Bioorg Med Chem Lett 24: 4768-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.080
BindingDB Entry DOI: 10.7270/Q2J67JG6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50024676
PNG
(CHEMBL3335004)
Show SMILES ONC(=O)c1ccc(cc1)N1CCN(Cc2ccc3ccccc3c2)C1=O
Show InChI InChI=1S/C21H19N3O3/c25-20(22-27)17-7-9-19(10-8-17)24-12-11-23(21(24)26)14-15-5-6-16-3-1-2-4-18(16)13-15/h1-10,13,27H,11-12,14H2,(H,22,25)
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n/an/a 5.40n/an/an/an/an/an/a



Shanghai Huilun Life Sciences& Technology Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using Boc-Lys(Ac)-AMC as substrate by fluorescence assay


Bioorg Med Chem Lett 24: 4768-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.080
BindingDB Entry DOI: 10.7270/Q2J67JG6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50024672
PNG
(CHEMBL3335000)
Show SMILES CN(C)c1cccc(CN2CCN(C2=O)c2ccc(cc2)C(=O)NO)c1
Show InChI InChI=1S/C19H22N4O3/c1-21(2)17-5-3-4-14(12-17)13-22-10-11-23(19(22)25)16-8-6-15(7-9-16)18(24)20-26/h3-9,12,26H,10-11,13H2,1-2H3,(H,20,24)
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n/an/a 9.5n/an/an/an/an/an/a



Shanghai Huilun Life Sciences& Technology Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using Boc-Lys(Ac)-AMC as substrate by fluorescence assay


Bioorg Med Chem Lett 24: 4768-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.080
BindingDB Entry DOI: 10.7270/Q2J67JG6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50024675
PNG
(CHEMBL3335003)
Show SMILES ONC(=O)c1ccc(cc1)N1CCN(Cc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C21H19N3O3/c25-20(22-27)16-8-10-18(11-9-16)24-13-12-23(21(24)26)14-17-6-3-5-15-4-1-2-7-19(15)17/h1-11,27H,12-14H2,(H,22,25)
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n/an/a 9.5n/an/an/an/an/an/a



Shanghai Huilun Life Sciences& Technology Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using Boc-Lys(Ac)-AMC as substrate by fluorescence assay


Bioorg Med Chem Lett 24: 4768-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.080
BindingDB Entry DOI: 10.7270/Q2J67JG6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50024665
PNG
(CHEMBL3334996)
Show SMILES COc1ccc(CN2CCN(C2=O)c2ccc(cc2)C(=O)NO)cc1
Show InChI InChI=1S/C18H19N3O4/c1-25-16-8-2-13(3-9-16)12-20-10-11-21(18(20)23)15-6-4-14(5-7-15)17(22)19-24/h2-9,24H,10-12H2,1H3,(H,19,22)
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n/an/a 12n/an/an/an/an/an/a



Shanghai Huilun Life Sciences& Technology Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using Boc-Lys(Ac)-AMC as substrate by fluorescence assay


Bioorg Med Chem Lett 24: 4768-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.080
BindingDB Entry DOI: 10.7270/Q2J67JG6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 13n/an/an/an/an/an/a



Shanghai Huilun Life Sciences& Technology Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using Boc-Lys(Ac)-AMC as substrate by fluorescence assay


Bioorg Med Chem Lett 24: 4768-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.080
BindingDB Entry DOI: 10.7270/Q2J67JG6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50024679
PNG
(CHEMBL3335007)
Show SMILES ONC(=O)c1ccc(cc1)N1CCN(CCc2ccccc2)C1=O
Show InChI InChI=1S/C18H19N3O3/c22-17(19-24)15-6-8-16(9-7-15)21-13-12-20(18(21)23)11-10-14-4-2-1-3-5-14/h1-9,24H,10-13H2,(H,19,22)
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n/an/a 13n/an/an/an/an/an/a



Shanghai Huilun Life Sciences& Technology Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using Boc-Lys(Ac)-AMC as substrate by fluorescence assay


Bioorg Med Chem Lett 24: 4768-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.080
BindingDB Entry DOI: 10.7270/Q2J67JG6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50024660
PNG
(CHEMBL3334994)
Show SMILES ONC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2)C1=O
Show InChI InChI=1S/C17H17N3O3/c21-16(18-23)14-6-8-15(9-7-14)20-11-10-19(17(20)22)12-13-4-2-1-3-5-13/h1-9,23H,10-12H2,(H,18,21)
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n/an/a 17n/an/an/an/an/an/a



Shanghai Huilun Life Sciences& Technology Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using Boc-Lys(Ac)-AMC as substrate by fluorescence assay


Bioorg Med Chem Lett 24: 4768-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.080
BindingDB Entry DOI: 10.7270/Q2J67JG6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50024663
PNG
(CHEMBL3334995)
Show SMILES ONC(=O)c1ccc(cc1)N1CCN(Cc2ccc(F)cc2)C1=O
Show InChI InChI=1S/C17H16FN3O3/c18-14-5-1-12(2-6-14)11-20-9-10-21(17(20)23)15-7-3-13(4-8-15)16(22)19-24/h1-8,24H,9-11H2,(H,19,22)
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n/an/a 21n/an/an/an/an/an/a



Shanghai Huilun Life Sciences& Technology Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using Boc-Lys(Ac)-AMC as substrate by fluorescence assay


Bioorg Med Chem Lett 24: 4768-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.080
BindingDB Entry DOI: 10.7270/Q2J67JG6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50024673
PNG
(CHEMBL3335001)
Show SMILES CN(C)Cc1cccc(CN2CCN(C2=O)c2ccc(cc2)C(=O)NO)c1
Show InChI InChI=1S/C20H24N4O3/c1-22(2)13-15-4-3-5-16(12-15)14-23-10-11-24(20(23)26)18-8-6-17(7-9-18)19(25)21-27/h3-9,12,27H,10-11,13-14H2,1-2H3,(H,21,25)
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n/an/a 23n/an/an/an/an/an/a



Shanghai Huilun Life Sciences& Technology Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using Boc-Lys(Ac)-AMC as substrate by fluorescence assay


Bioorg Med Chem Lett 24: 4768-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.080
BindingDB Entry DOI: 10.7270/Q2J67JG6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50024674
PNG
(CHEMBL3335002)
Show SMILES CN(C)Cc1ccc(CN2CCN(C2=O)c2ccc(cc2)C(=O)NO)cc1
Show InChI InChI=1S/C20H24N4O3/c1-22(2)13-15-3-5-16(6-4-15)14-23-11-12-24(20(23)26)18-9-7-17(8-10-18)19(25)21-27/h3-10,27H,11-14H2,1-2H3,(H,21,25)
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n/an/a 25n/an/an/an/an/an/a



Shanghai Huilun Life Sciences& Technology Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using Boc-Lys(Ac)-AMC as substrate by fluorescence assay


Bioorg Med Chem Lett 24: 4768-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.080
BindingDB Entry DOI: 10.7270/Q2J67JG6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50024668
PNG
(CHEMBL3334998)
Show SMILES ONC(=O)c1ccc(cc1)N1CCN(Cc2ccncc2)C1=O
Show InChI InChI=1S/C16H16N4O3/c21-15(18-23)13-1-3-14(4-2-13)20-10-9-19(16(20)22)11-12-5-7-17-8-6-12/h1-8,23H,9-11H2,(H,18,21)
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n/an/a 41n/an/an/an/an/an/a



Shanghai Huilun Life Sciences& Technology Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using Boc-Lys(Ac)-AMC as substrate by fluorescence assay


Bioorg Med Chem Lett 24: 4768-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.080
BindingDB Entry DOI: 10.7270/Q2J67JG6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50024669
PNG
(CHEMBL3334999)
Show SMILES ONC(=O)c1ccc(cc1)N1CCN(Cc2cccnc2)C1=O
Show InChI InChI=1S/C16H16N4O3/c21-15(18-23)13-3-5-14(6-4-13)20-9-8-19(16(20)22)11-12-2-1-7-17-10-12/h1-7,10,23H,8-9,11H2,(H,18,21)
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n/an/a 42n/an/an/an/an/an/a



Shanghai Huilun Life Sciences& Technology Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using Boc-Lys(Ac)-AMC as substrate by fluorescence assay


Bioorg Med Chem Lett 24: 4768-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.080
BindingDB Entry DOI: 10.7270/Q2J67JG6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50024667
PNG
(CHEMBL3334997)
Show SMILES ONC(=O)c1ccc(cc1)N1CCN(Cc2ccc(cc2)C(F)(F)F)C1=O
Show InChI InChI=1S/C18H16F3N3O3/c19-18(20,21)14-5-1-12(2-6-14)11-23-9-10-24(17(23)26)15-7-3-13(4-8-15)16(25)22-27/h1-8,27H,9-11H2,(H,22,25)
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n/an/a 80n/an/an/an/an/an/a



Shanghai Huilun Life Sciences& Technology Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using Boc-Lys(Ac)-AMC as substrate by fluorescence assay


Bioorg Med Chem Lett 24: 4768-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.080
BindingDB Entry DOI: 10.7270/Q2J67JG6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50024683
PNG
(CHEMBL3335011)
Show SMILES ONC(=O)c1ccc(cc1)N1CCN(CCCN2CCCC2)C1=O
Show InChI InChI=1S/C17H24N4O3/c22-16(18-24)14-4-6-15(7-5-14)21-13-12-20(17(21)23)11-3-10-19-8-1-2-9-19/h4-7,24H,1-3,8-13H2,(H,18,22)
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n/an/a 114n/an/an/an/an/an/a



Shanghai Huilun Life Sciences& Technology Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using Boc-Lys(Ac)-AMC as substrate by fluorescence assay


Bioorg Med Chem Lett 24: 4768-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.080
BindingDB Entry DOI: 10.7270/Q2J67JG6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50024682
PNG
(CHEMBL3335010)
Show SMILES ONC(=O)c1ccc(cc1)N1CCN(CCCN2CCOCC2)C1=O
Show InChI InChI=1S/C17H24N4O4/c22-16(18-24)14-2-4-15(5-3-14)21-9-8-20(17(21)23)7-1-6-19-10-12-25-13-11-19/h2-5,24H,1,6-13H2,(H,18,22)
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n/an/a 125n/an/an/an/an/an/a



Shanghai Huilun Life Sciences& Technology Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using Boc-Lys(Ac)-AMC as substrate by fluorescence assay


Bioorg Med Chem Lett 24: 4768-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.080
BindingDB Entry DOI: 10.7270/Q2J67JG6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50024655
PNG
(CHEMBL3334993)
Show SMILES ONC(=O)c1ccc(cc1)N1CCN(C1=O)c1cnc2ccccc2c1
Show InChI InChI=1S/C19H16N4O3/c24-18(21-26)13-5-7-15(8-6-13)22-9-10-23(19(22)25)16-11-14-3-1-2-4-17(14)20-12-16/h1-8,11-12,26H,9-10H2,(H,21,24)
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n/an/a 152n/an/an/an/an/an/a



Shanghai Huilun Life Sciences& Technology Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using Boc-Lys(Ac)-AMC as substrate by fluorescence assay


Bioorg Med Chem Lett 24: 4768-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.080
BindingDB Entry DOI: 10.7270/Q2J67JG6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50024654
PNG
(CHEMBL3334992)
Show SMILES ONC(=O)c1ccc(cc1)N1CCN(C1=O)c1cccnc1
Show InChI InChI=1S/C15H14N4O3/c20-14(17-22)11-3-5-12(6-4-11)18-8-9-19(15(18)21)13-2-1-7-16-10-13/h1-7,10,22H,8-9H2,(H,17,20)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 182n/an/an/an/an/an/a



Shanghai Huilun Life Sciences& Technology Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using Boc-Lys(Ac)-AMC as substrate by fluorescence assay


Bioorg Med Chem Lett 24: 4768-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.080
BindingDB Entry DOI: 10.7270/Q2J67JG6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50024681
PNG
(CHEMBL3335009)
Show SMILES CC(C)CN1CCN(C1=O)c1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C14H19N3O3/c1-10(2)9-16-7-8-17(14(16)19)12-5-3-11(4-6-12)13(18)15-20/h3-6,10,20H,7-9H2,1-2H3,(H,15,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Shanghai Huilun Life Sciences& Technology Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using Boc-Lys(Ac)-AMC as substrate by fluorescence assay


Bioorg Med Chem Lett 24: 4768-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.080
BindingDB Entry DOI: 10.7270/Q2J67JG6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%