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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 = 'BDBM50568206'   
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))
BDBM50568206
PNG
(CHEMBL4862470)
Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCCN2C3CCC2c2c3cccc2-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,TLB:24:25:30.31:27.28,(78.21,-22.01,;76.81,-21.36,;75.57,-22.25,;75.7,-23.79,;74.16,-21.62,;72.91,-22.51,;71.51,-21.87,;70.25,-22.75,;68.86,-22.12,;67.6,-23.01,;67.75,-24.54,;69.14,-25.19,;70.4,-24.29,;69.3,-26.71,;70.19,-27.96,;68.66,-28.1,;67.28,-27.31,;65.91,-28.1,;65.91,-29.68,;67.28,-30.48,;68.67,-29.69,;61.98,-30.85,;60.45,-30.26,;60.19,-28.64,;61.47,-27.61,;61.21,-26,;59.75,-25.61,;60.77,-26.76,;62.28,-26.46,;62.77,-25,;61.74,-23.85,;60.24,-24.16,;59.22,-22.99,;59.72,-21.52,;61.21,-21.24,;62.24,-22.39,;63.74,-22.09,;64.38,-20.69,;65.91,-20.86,;66.21,-22.37,;64.87,-23.12,)|
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 24n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC3 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128168
BindingDB Entry DOI: 10.7270/Q2QR51V7
More data for this
Ligand-Target Pair