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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 = 'BDBM50349477'   
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))
BDBM50349477
PNG
(CHEMBL1808617)
Show SMILES CC(C)(C)OC(=O)N1Cc2ccc(\C=C\C(=O)NO)cc2C1
Show InChI InChI=1S/C16H20N2O4/c1-16(2,3)22-15(20)18-9-12-6-4-11(8-13(12)10-18)5-7-14(19)17-21/h4-8,21H,9-10H2,1-3H3,(H,17,19)/b7-5+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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Patents

Article
PubMed
n/an/a 520n/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