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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 = 'BDBM50196609'   
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))
BDBM50196609
PNG
(7-(4-(3-(1H-indol-3-yl)propanamido)phenyl1H-indol-...)
Show SMILES ONC(=O)CCCCCCOc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C24H29N3O4/c28-23(15-10-18-17-25-22-8-5-4-7-21(18)22)26-19-11-13-20(14-12-19)31-16-6-2-1-3-9-24(29)27-30/h4-5,7-8,11-14,17,25,30H,1-3,6,9-10,15-16H2,(H,26,28)(H,27,29)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/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