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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 2' and Ligand = 'BDBM50005747'   
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 2


(Homo sapiens (Human))
BDBM50005747
PNG
(CHEMBL3235462)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1cccc(c1)C12CC3CC(CC(C3)C1)C2 |TLB:21:22:20.19.25:26,THB:21:20:22.27.23:26,23:22:19:25.24.26,23:24:21.22.27:19|
Show InChI InChI=1S/C25H27NO2/c27-24(26-28)9-6-17-4-7-21(8-5-17)22-2-1-3-23(13-22)25-14-18-10-19(15-25)12-20(11-18)16-25/h1-9,13,18-20,28H,10-12,14-16H2,(H,26,27)/b9-6+
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 in human HeLa cells using KI-104 as substrate after 40 mins by fluorescence analysis


Eur J Med Chem 79: 251-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.021
BindingDB Entry DOI: 10.7270/Q2V989KV
More data for this
Ligand-Target Pair