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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 6' and Ligand = 'BDBM50320742'   
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 6


(Homo sapiens (Human))		BDBM50320742
PNG
(CHEMBL1164225 | N-((R)-4-((1R,3aS,7aR,E)-4-(2-((3R...)
Show SMILES [#6]-[#6@H](-[#6]-[#6]-[#6]-[#7]S([#6])(=O)=O)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1 |r|
Show InChI InChI=1S/C24H41NO4S/c1-17(6-5-13-25-30(3,28)29)22-10-11-23-19(7-4-12-24(22,23)2)9-8-18-14-20(26)16-21(27)15-18/h8-9,17,20-23,25-27H,4-7,10-16H2,1-3H3/b19-9+/t17-,20-,21-,22-,23+,24-/m1/s1
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Similars
Article
PubMed
n/an/a 7.13E+4n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 after 10 mins by fluorometric assay

Bioorg Med Chem 18: 4119-37 (2010)


Article DOI: 10.1016/j.bmc.2010.03.078
BindingDB Entry DOI: 10.7270/Q2154J17
More data for this
Ligand-Target Pair