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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 = 'BDBM50349504'   
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))
BDBM50349504
PNG
(CHEMBL1808644)
Show SMILES ONC(=O)\C=C\c1ccc2CN(CCc3c[nH]c4ccccc34)Cc2c1
Show InChI InChI=1S/C21H21N3O2/c25-21(23-26)8-6-15-5-7-17-13-24(14-18(17)11-15)10-9-16-12-22-20-4-2-1-3-19(16)20/h1-8,11-12,22,26H,9-10,13-14H2,(H,23,25)/b8-6+
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MMDB

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Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant HDAC1


Bioorg Med Chem Lett 21: 4909-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.015
BindingDB Entry DOI: 10.7270/Q2542NZQ
More data for this
Ligand-Target Pair