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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 = 'BDBM50255916'   
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))
BDBM50255916
PNG
((E)-N-(2-aminophenyl)-3-(4-((4-(pyridin-3-yl)pyrim...)
Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(CNc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C25H22N6O/c26-21-5-1-2-6-23(21)30-24(32)12-11-18-7-9-19(10-8-18)16-29-25-28-15-13-22(31-25)20-4-3-14-27-17-20/h1-15,17H,16,26H2,(H,30,32)(H,28,29,31)/b12-11+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+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