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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 2' and Ligand = 'BDBM50297446'   
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 2


(Homo sapiens (Human))
BDBM50297446
PNG
(CHEMBL561604 | N-hydroxy-7,7-bis(5-nitro-1H-indol-...)
Show SMILES ONC(=O)CCCCCC(c1c[nH]c2ccc(cc12)[N+]([O-])=O)c1c[nH]c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C23H23N5O6/c29-23(26-30)5-3-1-2-4-16(19-12-24-21-8-6-14(27(31)32)10-17(19)21)20-13-25-22-9-7-15(28(33)34)11-18(20)22/h6-13,16,24-25,30H,1-5H2,(H,26,29)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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Article
PubMed
n/an/a 590n/an/an/an/an/an/a



Sigma-Tau Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2 by fluroimetry


Bioorg Med Chem Lett 19: 2840-3 (2009)

Checked by Author
Article DOI: 10.1016/j.bmcl.2009.03.101
BindingDB Entry DOI: 10.7270/Q2PN95PT
More data for this
Ligand-Target Pair