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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 = 'BDBM50275641'   
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))
BDBM50275641
PNG
(CHEMBL485968 | N-(1-(pyridin-4-yl)ethyl)-5-(2,2,2-...)
Show SMILES CC(NC(=O)c1ccc(s1)C(=O)C(F)(F)F)c1ccncc1
Show InChI InChI=1S/C14H11F3N2O2S/c1-8(9-4-6-18-7-5-9)19-13(21)11-3-2-10(22-11)12(20)14(15,16)17/h2-8H,1H3,(H,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



IRBM-Merck Research Laboratories Rome

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 purified from HEK293 cells by western blot


Bioorg Med Chem Lett 18: 6078-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.041
BindingDB Entry DOI: 10.7270/Q2V987XH
More data for this
Ligand-Target Pair