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SMILES: COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)c2cc3OCOc3cc12

InChI Key: InChIKey=HTZHPYRITOSRMT-DKJDTLJOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50442731   
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))		BDBM50442731
PNG
(CHEMBL2442698)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)c2cc3OCOc3cc12 |r|
Show InChI InChI=1S/C35H39N3O10/c1-44-27-13-19(14-28(45-2)34(27)41)31-22-15-25-26(48-18-47-25)16-23(22)33(24-17-46-35(42)32(24)31)37-21-11-9-20(10-12-21)36-29(39)7-5-3-4-6-8-30(40)38-43/h9-16,24,31-33,37,41,43H,3-8,17-18H2,1-2H3,(H,36,39)(H,38,40)/t24-,31+,32-,33+/m0/s1
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Article
PubMed
n/an/a 230n/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