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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 = 'BDBM50255101'   
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))
BDBM50255101
PNG
(CHEMBL519604 | N-(2-aminophenyl)-4-((6-(pyridin-3-...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2cc(ncn2)-c2cccnc2)cc1
Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-20(19)29-23(30)17-9-7-16(8-10-17)13-26-22-12-21(27-15-28-22)18-4-3-11-25-14-18/h1-12,14-15H,13,24H2,(H,29,30)(H,26,27,28)
PDB
MMDB

NCI pathway
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PC cid
PC sid
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Patents

Article
PubMed
n/an/a 70n/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