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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 = 'BDBM50386662'   
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))
BDBM50386662
PNG
(CHEMBL2048755)
Show SMILES ONC(=O)\C=C\c1ccc2n(Cc3ccccc3)ccc2c1
Show InChI InChI=1S/C18H16N2O2/c21-18(19-22)9-7-14-6-8-17-16(12-14)10-11-20(17)13-15-4-2-1-3-5-15/h1-12,22H,13H2,(H,19,21)/b9-7+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 71.2n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 30 mins by fluorometric assay


J Med Chem 55: 3777-91 (2012)


Article DOI: 10.1021/jm300197a
BindingDB Entry DOI: 10.7270/Q2CR5VD7
More data for this
Ligand-Target Pair