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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 = 'BDBM50353270'   
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))		BDBM50353270
PNG
(CHEMBL1830538)
Show SMILES CC\C=C/CCc1nc2cc(\C=C\C(=O)NO)ccc2n1CC(C)(C)CN(C)C
Show InChI InChI=1S/C23H34N4O2/c1-6-7-8-9-10-21-24-19-15-18(12-14-22(28)25-29)11-13-20(19)27(21)17-23(2,3)16-26(4)5/h7-8,11-15,29H,6,9-10,16-17H2,1-5H3,(H,25,28)/b8-7-,14-12+
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n/an/a 53n/an/an/an/an/an/a



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