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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50002527   
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 1


(Homo sapiens (Human))
BDBM50459720
PNG
(CHEMBL4210305)
Show SMILES COc1ccc(CN(CCN(C)C)c2ccc(cn2)C(=O)Nc2ccccc2N)cc1
Show InChI InChI=1S/C24H29N5O2/c1-28(2)14-15-29(17-18-8-11-20(31-3)12-9-18)23-13-10-19(16-26-23)24(30)27-22-7-5-4-6-21(22)25/h4-13,16H,14-15,17,25H2,1-3H3,(H,27,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Kansai University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using HDAC substrate 3 measured a...


ACS Med Chem Lett 9: 884-888 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00099
BindingDB Entry DOI: 10.7270/Q2JH3PTX
More data for this
Ligand-Target Pair