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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 3' and Ligand = 'BDBM50442723'   
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 3


(Homo sapiens (Human))		BDBM50442723
PNG
(CHEMBL2442795)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2cccc(OCCCCC(=O)NO)c2)c2cc3OCOc3cc12 |r|
Show InChI InChI=1S/C32H34N2O10/c1-39-25-10-17(11-26(40-2)31(25)36)28-20-13-23-24(44-16-43-23)14-21(20)30(22-15-42-32(37)29(22)28)33-18-6-5-7-19(12-18)41-9-4-3-8-27(35)34-38/h5-7,10-14,22,28-30,33,36,38H,3-4,8-9,15-16H2,1-2H3,(H,34,35)/t22-,28+,29-,30+/m0/s1
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Article
PubMed
n/an/a 111n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...

Bioorg Med Chem 21: 6981-95 (2013)


Article DOI: 10.1016/j.bmc.2013.09.023
BindingDB Entry DOI: 10.7270/Q2CC124T
More data for this
Ligand-Target Pair