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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 = 'BDBM50255915'   
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))
BDBM50255915
PNG
(CHEMBL481727 | N-(2-aminophenyl)-4-(4-(pyridin-3-y...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(Nc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C22H18N6O/c23-18-5-1-2-6-20(18)27-21(29)15-7-9-17(10-8-15)26-22-25-13-11-19(28-22)16-4-3-12-24-14-16/h1-14H,23H2,(H,27,29)(H,25,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.00E+3n/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