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PubMed code 21714538

Compile data set for download or QSAR
Found 2 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 6


(Homo sapiens (Human))
BDBM50353385
PNG
(CHEMBL1828920)
Show SMILES CC[C@H](C)[C@H](NC(=O)CC(C)(C)C)C(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1 |r|
Show InChI InChI=1S/C31H42N4O7/c1-7-19(2)28(33-26(36)16-31(3,4)5)30(39)35-17-21-14-24(42-18-27(37)34-40)11-8-20(21)15-25(35)29(38)32-22-9-12-23(41-6)13-10-22/h8-14,19,25,28,40H,7,15-18H2,1-6H3,(H,32,38)(H,33,36)(H,34,37)/t19-,25-,28-/m0/s1
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 56n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 using Boc-Lys (acetyl)-AMC as substrate after 30 mins by fluorescence assay


J Med Chem 54: 5532-9 (2011)


Article DOI: 10.1021/jm200577a
BindingDB Entry DOI: 10.7270/Q2ST7Q62
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50353385
PNG
(CHEMBL1828920)
Show SMILES CC[C@H](C)[C@H](NC(=O)CC(C)(C)C)C(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1 |r|
Show InChI InChI=1S/C31H42N4O7/c1-7-19(2)28(33-26(36)16-31(3,4)5)30(39)35-17-21-14-24(42-18-27(37)34-40)11-8-20(21)15-25(35)29(38)32-22-9-12-23(41-6)13-10-22/h8-14,19,25,28,40H,7,15-18H2,1-6H3,(H,32,38)(H,33,36)(H,34,37)/t19-,25-,28-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 146n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 using Boc-Lys (acetyl)-AMC as substrate after 30 mins by fluorescence assay


J Med Chem 54: 5532-9 (2011)


Article DOI: 10.1021/jm200577a
BindingDB Entry DOI: 10.7270/Q2ST7Q62
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%