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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 = 'BDBM50189910'   
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))
BDBM50189910
PNG
(CHEMBL3827262)
Show SMILES Nc1ccc(cc1NC(=O)C1C2COCC12)-c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN2O2/c19-12-4-1-10(2-5-12)11-3-6-15(20)16(7-11)21-18(22)17-13-8-23-9-14(13)17/h1-7,13-14,17H,8-9,20H2,(H,21,22)
PDB

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Similars

Article
PubMed
n/an/a 1.49E+3n/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition full length human recombinant HDAC3 expressed in baculovirus using carboxyfluorescein (FAM)-labeled acetylated/ trifluoroacetylated peptid...


Bioorg Med Chem 24: 4008-4015 (2016)


Article DOI: 10.1016/j.bmc.2016.06.040
BindingDB Entry DOI: 10.7270/Q23B6220
More data for this
Ligand-Target Pair