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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 = 'BDBM50387315'   
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))		BDBM50387315
PNG
(CHEMBL2046620)
Show SMILES CC(N1CCc2nc(sc2C1)C(=O)NO)c1ccc(NC(=O)\C=C\c2ccccc2)nc1
Show InChI InChI=1S/C23H23N5O3S/c1-15(28-12-11-18-19(14-28)32-23(25-18)22(30)27-31)17-8-9-20(24-13-17)26-21(29)10-7-16-5-3-2-4-6-16/h2-10,13,15,31H,11-12,14H2,1H3,(H,27,30)(H,24,26,29)/b10-7+
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Similars
Article
PubMed
n/an/a 6.80E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC1 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair