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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 8' and Ligand = 'BDBM50317965'   
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 8


(Homo sapiens (Human))		BDBM50317965
PNG
(CHEMBL1099096 | N-hydroxy-3-(3-(1-phenethyl-1H-ben...)
Show SMILES ONC(=O)\C=C\c1cccc(c1)-c1nc2ccccc2n1CCc1ccccc1
Show InChI InChI=1S/C24H21N3O2/c28-23(26-29)14-13-19-9-6-10-20(17-19)24-25-21-11-4-5-12-22(21)27(24)16-15-18-7-2-1-3-8-18/h1-14,17,29H,15-16H2,(H,26,28)/b14-13+
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n/an/a 25n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8

Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair