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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 4' and Ligand = 'BDBM50048862'   
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 4


(Homo sapiens (Human))
BDBM50048862
PNG
(CHEMBL3310510)
Show SMILES [H][C@]12CCCN1C(=O)[C@@H](NC(=O)[C@]1([H])CCCCCSSCCCCC[C@]([H])(NC2=O)C(=O)N1)C(C)C |r|
Show InChI InChI=1S/C24H40N4O4S2/c1-16(2)20-24(32)28-13-9-12-19(28)23(31)26-17-10-5-3-7-14-33-34-15-8-4-6-11-18(22(30)27-20)25-21(17)29/h16-20H,3-15H2,1-2H3,(H,25,29)(H,26,31)(H,27,30)/t17-,18-,19+,20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 9.30n/an/an/an/an/an/a



University of Rajshahi

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader in presence of 0.1 mM dithiothreito...


Bioorg Med Chem 22: 3850-5 (2014)


Article DOI: 10.1016/j.bmc.2014.06.029
BindingDB Entry DOI: 10.7270/Q23F4R9P
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50048862
PNG
(CHEMBL3310510)
Show SMILES [H][C@]12CCCN1C(=O)[C@@H](NC(=O)[C@]1([H])CCCCCSSCCCCC[C@]([H])(NC2=O)C(=O)N1)C(C)C |r|
Show InChI InChI=1S/C24H40N4O4S2/c1-16(2)20-24(32)28-13-9-12-19(28)23(31)26-17-10-5-3-7-14-33-34-15-8-4-6-11-18(22(30)27-20)25-21(17)29/h16-20H,3-15H2,1-2H3,(H,25,29)(H,26,31)(H,27,30)/t17-,18-,19+,20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 6.30E+4n/an/an/an/an/an/a



University of Rajshahi

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader


Bioorg Med Chem 22: 3850-5 (2014)


Article DOI: 10.1016/j.bmc.2014.06.029
BindingDB Entry DOI: 10.7270/Q23F4R9P
More data for this
Ligand-Target Pair