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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 = 'BDBM50196594'   
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))
BDBM50196594
PNG
(7-(4-((1H-indol-5-yl)methylamino)phenyl1H-indol-5-...)
Show SMILES ONC(=O)CCCCCCOc1ccc(NCc2ccc3[nH]ccc3c2)cc1
Show InChI InChI=1S/C22H27N3O3/c26-22(25-27)5-3-1-2-4-14-28-20-9-7-19(8-10-20)24-16-17-6-11-21-18(15-17)12-13-23-21/h6-13,15,23-24,27H,1-5,14,16H2,(H,25,26)
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 14n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
In vitro inhibition of histone deacetylase activity using HeLa cell nuclear extract as enzyme source


Bioorg Med Chem Lett 17: 136-41 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.085
BindingDB Entry DOI: 10.7270/Q2B56JDQ
More data for this
Ligand-Target Pair