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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50275943   
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))		BDBM50275943
PNG
(6-(2-(2-amino-2-oxoethyl)-2,8-diazaspiro[4.5]decan...)
Show SMILES NC(=O)CN1CCC2(C1)CCN(CC2)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C26H30N6O2S/c27-20-5-3-18(22-2-1-13-35-22)14-21(20)30-25(34)19-4-6-24(29-15-19)32-11-8-26(9-12-32)7-10-31(17-26)16-23(28)33/h1-6,13-15H,7-12,16-17,27H2,(H2,28,33)(H,30,34)
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Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 expressed in mammalian cells

Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair