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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 = 'BDBM50255470'   
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))
BDBM50255470
PNG
(CHEMBL480044 | N-(2-aminophenyl)-4-((4-(3-(2-(dime...)
Show SMILES CN(C)CCOc1cccc(c1)-c1ccnc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)n1
Show InChI InChI=1S/C28H30N6O2/c1-34(2)16-17-36-23-7-5-6-22(18-23)25-14-15-30-28(33-25)31-19-20-10-12-21(13-11-20)27(35)32-26-9-4-3-8-24(26)29/h3-15,18H,16-17,19,29H2,1-2H3,(H,32,35)(H,30,31,33)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/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