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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50525404'   
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))
BDBM50525404
PNG
(CHEMBL4563988)
Show SMILES COC(=O)c1ccc2ccccc2c1OCCCCCCCC(=O)NO
Show InChI InChI=1S/C20H25NO5/c1-25-20(23)17-13-12-15-9-6-7-10-16(15)19(17)26-14-8-4-2-3-5-11-18(22)21-24/h6-7,9-10,12-13,24H,2-5,8,11,14H2,1H3,(H,21,22)
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 3.50E+3n/an/an/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate measured after 15 mins by fluorimetry assay


ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
BindingDB Entry DOI: 10.7270/Q23J3HDS
More data for this
Ligand-Target Pair