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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 = 'BDBM50353248'   
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))		BDBM50353248
PNG
(CHEMBL1830411)
Show SMILES CCN(CC)CCn1c(nc2cc(\C=C\C(=O)NO)ccc12)C1CC1c1ccccc1
Show InChI InChI=1S/C25H30N4O2/c1-3-28(4-2)14-15-29-23-12-10-18(11-13-24(30)27-31)16-22(23)26-25(29)21-17-20(21)19-8-6-5-7-9-19/h5-13,16,20-21,31H,3-4,14-15,17H2,1-2H3,(H,27,30)/b13-11+
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S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay

J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair