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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 7' and Ligand = 'BDBM50255422'   
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 7


(Homo sapiens (Human))
BDBM50255422
PNG
(4-((4-(1H-pyrazol-5-yl)pyrimidin-2-ylamino)methyl)...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cc[nH]n2)cc1
Show InChI InChI=1S/C21H19N7O/c22-16-3-1-2-4-17(16)26-20(29)15-7-5-14(6-8-15)13-24-21-23-11-9-18(27-21)19-10-12-25-28-19/h1-12H,13,22H2,(H,25,28)(H,26,29)(H,23,24,27)
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt

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PC cid
PC sid
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Patents

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of HDAC7


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