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SMILES: CC(=O)SCCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc2cccnc12

InChI Key: InChIKey=UJKGYYPNUCRQFO-QHCPKHFHSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 152479   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 1


(Homo sapiens (Human))
BDBM152479
PNG
(Z-L-Am7(Ac)-QA (1))
Show SMILES CC(=O)SCCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc2cccnc12 |r|
Show InChI InChI=1S/C26H29N3O4S/c1-19(30)34-17-7-3-6-14-23(29-26(32)33-18-20-10-4-2-5-11-20)25(31)28-22-15-8-12-21-13-9-16-27-24(21)22/h2,4-5,8-13,15-16,23H,3,6-7,14,17-18H2,1H3,(H,28,31)(H,29,32)/t23-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 47n/an/an/an/an/an/a



Kyushu Institute of Technology



Assay Description
For the enzyme assay, 10 無 of the enzyme fraction was added to 1 無 of fluorescent substrate (2 mM Ac-KGLGK(Ac)-MCA) and 9 無 of histone deacetylase...


Bioorg Chem 59: 145-50 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.009
BindingDB Entry DOI: 10.7270/Q2T152C2
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Mus musculus)
BDBM152479
PNG
(Z-L-Am7(Ac)-QA (1))
Show SMILES CC(=O)SCCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc2cccnc12 |r|
Show InChI InChI=1S/C26H29N3O4S/c1-19(30)34-17-7-3-6-14-23(29-26(32)33-18-20-10-4-2-5-11-20)25(31)28-22-15-8-12-21-13-9-16-27-24(21)22/h2,4-5,8-13,15-16,23H,3,6-7,14,17-18H2,1H3,(H,28,31)(H,29,32)/t23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Kyushu Institute of Technology



Assay Description
For the enzyme assay, 10 無 of the enzyme fraction was added to 1 無 of fluorescent substrate (2 mM Ac-KGLGK(Ac)-MCA) and 9 無 of histone deacetylase...


Bioorg Chem 59: 145-50 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.009
BindingDB Entry DOI: 10.7270/Q2T152C2
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM152479
PNG
(Z-L-Am7(Ac)-QA (1))
Show SMILES CC(=O)SCCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc2cccnc12 |r|
Show InChI InChI=1S/C26H29N3O4S/c1-19(30)34-17-7-3-6-14-23(29-26(32)33-18-20-10-4-2-5-11-20)25(31)28-22-15-8-12-21-13-9-16-27-24(21)22/h2,4-5,8-13,15-16,23H,3,6-7,14,17-18H2,1H3,(H,28,31)(H,29,32)/t23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Kyushu Institute of Technology



Assay Description
For the enzyme assay, 10 無 of the enzyme fraction was added to 1 無 of fluorescent substrate (2 mM Ac-KGLGK(Ac)-MCA) and 9 無 of histone deacetylase...


Bioorg Chem 59: 145-50 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.009
BindingDB Entry DOI: 10.7270/Q2T152C2
More data for this
Ligand-Target Pair