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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 3' and Ligand = 'BDBM50294533'   
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 3


(Homo sapiens (Human))
BDBM50294533
PNG
(CHEMBL559576 | N-(2-aminophenyl)-6-((2S,8S)-8-(3-g...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-c2ccccc2-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C24H37N9O5/c25-15-7-4-5-8-16(15)31-19(34)11-3-1-2-9-17-22(37)29-14-21(36)33-18(10-6-12-28-24(26)27)23(38)30-13-20(35)32-17/h4-5,7-8,17-18H,1-3,6,9-14,25H2,(H,29,37)(H,30,38)(H,31,34)(H,32,35)(H,33,36)(H4,26,27,28)/t17-,18-/m0/s1
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Similars

Article
PubMed
n/an/a 4.69E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3


Bioorg Med Chem Lett 19: 3928-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.085
BindingDB Entry DOI: 10.7270/Q2MP5398
More data for this
Ligand-Target Pair