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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 = 'BDBM50255855'   
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))
BDBM50255855
PNG
(CHEMBL519601 | N-phenyl-4-((4-(pyridin-3-yl)pyrimi...)
Show SMILES O=C(Nc1ccccc1)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C23H19N5O/c29-22(27-20-6-2-1-3-7-20)18-10-8-17(9-11-18)15-26-23-25-14-12-21(28-23)19-5-4-13-24-16-19/h1-14,16H,15H2,(H,27,29)(H,25,26,28)
PDB
MMDB

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PC cid
PC sid
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Patents

Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Bioorg Med Chem Lett 19: 644-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.048
BindingDB Entry DOI: 10.7270/Q2PN95J1
More data for this
Ligand-Target Pair