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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 = 'BDBM50309930'   
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))
BDBM50309930
PNG
(6-((1S,7R,10S,13R)-2,8,11,25-Tetraoxo-3,9,12,24-te...)
Show SMILES ONC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCCCCCCCC[C@@H](NC1=O)C(=O)N2 |r|
Show InChI InChI=1S/C27H45N5O6/c33-23(31-38)17-11-7-10-14-20-24(34)28-19-13-8-5-3-1-2-4-6-9-15-21(30-25(19)35)27(37)32-18-12-16-22(32)26(36)29-20/h19-22,38H,1-18H2,(H,28,34)(H,29,36)(H,30,35)(H,31,33)/t19-,20+,21+,22-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.5n/an/an/an/an/an/a



Graduate School of Life Science and Systems Engineering

Curated by ChEMBL


Assay Description
Inhibition of HDAC4


Bioorg Med Chem Lett 20: 997-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.054
BindingDB Entry DOI: 10.7270/Q2BC3ZNR
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50309930
PNG
(6-((1S,7R,10S,13R)-2,8,11,25-Tetraoxo-3,9,12,24-te...)
Show SMILES ONC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCCCCCCCC[C@@H](NC1=O)C(=O)N2 |r|
Show InChI InChI=1S/C27H45N5O6/c33-23(31-38)17-11-7-10-14-20-24(34)28-19-13-8-5-3-1-2-4-6-9-15-21(30-25(19)35)27(37)32-18-12-16-22(32)26(36)29-20/h19-22,38H,1-18H2,(H,28,34)(H,29,36)(H,30,35)(H,31,33)/t19-,20+,21+,22-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.5n/an/an/an/an/an/a



University of Rajshahi

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP...


Bioorg Med Chem 22: 3862-70 (2014)


Article DOI: 10.1016/j.bmc.2014.06.031
BindingDB Entry DOI: 10.7270/Q2K93953
More data for this
Ligand-Target Pair