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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 = 'BDBM50278422'   
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))		BDBM50278422
PNG
(CHEMBL469368 | ethyl 4-(2-amino-5-(thiophen-2-yl)p...)
Show SMILES CCOP(=O)(c1ccccc1)c1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C25H23N2O3PS/c1-2-30-31(29,20-7-4-3-5-8-20)21-13-10-18(11-14-21)25(28)27-23-17-19(12-15-22(23)26)24-9-6-16-32-24/h3-17H,2,26H2,1H3,(H,27,28)
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n/an/a 21n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1

Bioorg Med Chem Lett 19: 2053-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.009
BindingDB Entry DOI: 10.7270/Q2QV3MDQ
More data for this
Ligand-Target Pair