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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 = 'BDBM50255424'   
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))
BDBM50255424
PNG
(CHEMBL481998 | N-(2-aminophenyl)-4-((4-(4-(morphol...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2ccc(CN3CCOCC3)cc2)cc1
Show InChI InChI=1S/C29H30N6O2/c30-25-3-1-2-4-27(25)33-28(36)24-11-5-21(6-12-24)19-32-29-31-14-13-26(34-29)23-9-7-22(8-10-23)20-35-15-17-37-18-16-35/h1-14H,15-20,30H2,(H,33,36)(H,31,32,34)
PDB
MMDB

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PC cid
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Patents

Article
PubMed
n/an/a 90n/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