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

InChI Key: InChIKey=RWMCODKVQIQYDV-YZCUKXFTSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50442739   
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))		BDBM50442739
PNG
(CHEMBL2442801)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2cccc(OCCCCCCC(=O)NO)c2)c2cc3OCOc3cc12 |r|
Show InChI InChI=1S/C34H38N2O10/c1-41-27-12-19(13-28(42-2)33(27)38)30-22-15-25-26(46-18-45-25)16-23(22)32(24-17-44-34(39)31(24)30)35-20-8-7-9-21(14-20)43-11-6-4-3-5-10-29(37)36-40/h7-9,12-16,24,30-32,35,38,40H,3-6,10-11,17-18H2,1-2H3,(H,36,37)/t24-,30+,31-,32+/m0/s1
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Article
PubMed
n/an/a 9.60n/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