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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50002969   
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 2


(Homo sapiens (Human))
BDBM19423
PNG
(HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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Similars

PDB
Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Duke University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant C-terminal His-tagged HDAC2 expressed in baculovirus infected Sf9 insect cells using substrate after 90 m...


ACS Med Chem Lett 9: 268-273 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00012
BindingDB Entry DOI: 10.7270/Q269767V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)