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SMILES: COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2cccc(NC(=O)CCCCCC(=O)NO)c2)c2cc3OCOc3cc12

InChI Key: InChIKey=QNGGTGHMURBNHO-FPMZXNSHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50442729   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50442729
PNG
(CHEMBL2442789)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2cccc(NC(=O)CCCCCC(=O)NO)c2)c2cc3OCOc3cc12 |r|
Show InChI InChI=1S/C34H37N3O10/c1-43-26-11-18(12-27(44-2)33(26)40)30-21-14-24-25(47-17-46-24)15-22(21)32(23-16-45-34(41)31(23)30)36-20-8-6-7-19(13-20)35-28(38)9-4-3-5-10-29(39)37-42/h6-8,11-15,23,30-32,36,40,42H,3-5,9-10,16-17H2,1-2H3,(H,35,38)(H,37,39)/t23-,30+,31-,32+/m0/s1
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Article
PubMed
n/an/a 590n/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