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PubMed code 15149697

Compile data set for download or QSAR
Found 10 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))		BDBM50223653
PNG
(CHEMBL332246)
Show SMILES SCCCCCCC(=O)Nc1cccnc1
Show InChI InChI=1S/C12H18N2OS/c15-12(7-3-1-2-4-9-16)14-11-6-5-8-13-10-11/h5-6,8,10,16H,1-4,7,9H2,(H,14,15)
PDB

KEGG

UniProtKB/SwissProt

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

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PubMed
n/an/a 110n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human histone deacetylase (HDAC) using HeLa nuclear extract

Bioorg Med Chem Lett 14: 3313-7 (2004)


BindingDB Entry DOI: 10.7270/Q28054SZ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM19131
PNG
(CHEMBL419758 | JMC505425 Compound 7 | N-(4-phenyl-...)
Show SMILES SCCCCCCC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C16H20N2OS2/c19-15(10-6-1-2-7-11-20)18-16-17-14(12-21-16)13-8-4-3-5-9-13/h3-5,8-9,12,20H,1-2,6-7,10-11H2,(H,17,18,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 170n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human histone deacetylase (HDAC) using HeLa nuclear extract

Bioorg Med Chem Lett 14: 3313-7 (2004)


BindingDB Entry DOI: 10.7270/Q28054SZ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM152692
PNG
(Thiol-SAHA (t-SAHA))
Show SMILES SCCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C13H19NOS/c15-13(10-6-1-2-7-11-16)14-12-8-4-3-5-9-12/h3-5,8-9,16H,1-2,6-7,10-11H2,(H,14,15)
PDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 210n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human histone deacetylase (HDAC) using HeLa nuclear extract

Bioorg Med Chem Lett 14: 3313-7 (2004)


BindingDB Entry DOI: 10.7270/Q28054SZ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50223648
PNG
(CHEMBL322504)
Show SMILES SCCCCCCC(=O)Nc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C19H23NO2S/c21-19(13-6-1-2-7-14-23)20-16-9-8-12-18(15-16)22-17-10-4-3-5-11-17/h3-5,8-12,15,23H,1-2,6-7,13-14H2,(H,20,21)
PDB

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UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 210n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human histone deacetylase (HDAC) using HeLa nuclear extract

Bioorg Med Chem Lett 14: 3313-7 (2004)


BindingDB Entry DOI: 10.7270/Q28054SZ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50223650
PNG
(CHEMBL112364)
Show SMILES SCCCCCCNC(=O)c1ccccc1
Show InChI InChI=1S/C13H19NOS/c15-13(12-8-4-3-5-9-12)14-10-6-1-2-7-11-16/h3-5,8-9,16H,1-2,6-7,10-11H2,(H,14,15)
PDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 360n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human histone deacetylase (HDAC) using HeLa nuclear extract

Bioorg Med Chem Lett 14: 3313-7 (2004)


BindingDB Entry DOI: 10.7270/Q28054SZ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50223651
PNG
(CHEMBL112129)
Show SMILES SCCCCCCC(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H23NO2S/c21-19(10-6-1-2-7-15-23)20-16-11-13-18(14-12-16)22-17-8-4-3-5-9-17/h3-5,8-9,11-14,23H,1-2,6-7,10,15H2,(H,20,21)
PDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 620n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human histone deacetylase (HDAC) using HeLa nuclear extract

Bioorg Med Chem Lett 14: 3313-7 (2004)


BindingDB Entry DOI: 10.7270/Q28054SZ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50121062
PNG
(9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE | 9,9,9-T...)
Show SMILES FC(F)(F)C(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C15H18F3NO2/c16-15(17,18)13(20)10-6-1-2-7-11-14(21)19-12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2,(H,19,21)
PDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
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Patents
PubMed
n/an/a 6.70E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human histone deacetylase (HDAC) using HeLa nuclear extract

Bioorg Med Chem Lett 14: 3313-7 (2004)


BindingDB Entry DOI: 10.7270/Q28054SZ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50223652
PNG
(CHEMBL109796)
Show SMILES SCCCCCCOc1ccccc1
Show InChI InChI=1S/C12H18OS/c14-11-7-2-1-6-10-13-12-8-4-3-5-9-12/h3-5,8-9,14H,1-2,6-7,10-11H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human histone deacetylase (HDAC) using HeLa nuclear extract

Bioorg Med Chem Lett 14: 3313-7 (2004)


BindingDB Entry DOI: 10.7270/Q28054SZ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50223649
PNG
(7-Methylsulfanyl-Heptanoic Acid Phenylamide | CHEM...)
Show SMILES CSCCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H21NOS/c1-17-12-8-3-2-7-11-14(16)15-13-9-5-4-6-10-13/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H,15,16)
PDB

KEGG

UniProtKB/SwissProt

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

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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human histone deacetylase (HDAC) using HeLa nuclear extract

Bioorg Med Chem Lett 14: 3313-7 (2004)


BindingDB Entry DOI: 10.7270/Q28054SZ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50222414
PNG
(BML-210 | CHEBI:61077 | CHEMBL324053)
Show SMILES Nc1ccccc1NC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C20H25N3O2/c21-17-12-8-9-13-18(17)23-20(25)15-7-2-1-6-14-19(24)22-16-10-4-3-5-11-16/h3-5,8-13H,1-2,6-7,14-15,21H2,(H,22,24)(H,23,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human histone deacetylase (HDAC) using HeLa nuclear extract

Bioorg Med Chem Lett 14: 3313-7 (2004)


BindingDB Entry DOI: 10.7270/Q28054SZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%