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SMILES: COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2ccccc2OCCCCC(=O)NO)c2cc3OCOc3cc12

InChI Key: InChIKey=YSTZYFSMFFDQMZ-YDMFLEDISA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50442722   
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))		BDBM50442722
PNG
(CHEMBL2442796)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2ccccc2OCCCCC(=O)NO)c2cc3OCOc3cc12 |r|
Show InChI InChI=1S/C32H34N2O10/c1-39-25-11-17(12-26(40-2)31(25)36)28-18-13-23-24(44-16-43-23)14-19(18)30(20-15-42-32(37)29(20)28)33-21-7-3-4-8-22(21)41-10-6-5-9-27(35)34-38/h3-4,7-8,11-14,20,28-30,33,36,38H,5-6,9-10,15-16H2,1-2H3,(H,34,35)/t20-,28+,29-,30+/m0/s1
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Similars
Article
PubMed
n/an/a 899n/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