new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50047972'   
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))
BDBM50047972
PNG
(CHEMBL3314866)
Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)-c1nnc(Cc2c[nH]c3ccccc23)o1
Show InChI InChI=1S/C26H21N5O2/c27-21-6-2-4-8-23(21)29-24(32)14-11-17-9-12-18(13-10-17)26-31-30-25(33-26)15-19-16-28-22-7-3-1-5-20(19)22/h1-14,16,28H,15,27H2,(H,29,32)/b14-11+
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 1.50E+3n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using histone H3 substrate pre-incubated at room temperature for 15 mins before substrate addition by fluorimet...


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair