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SMILES: Nc1nc(NCCc2ccccc2)nc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)n1

InChI Key: InChIKey=UAILMHCJUQOMGV-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50373684   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50373684
PNG
(CHEMBL403285)
Show SMILES Nc1nc(NCCc2ccccc2)nc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)n1
Show InChI InChI=1S/C25H26N8O/c26-20-8-4-5-9-21(20)30-22(34)19-12-10-18(11-13-19)16-29-25-32-23(27)31-24(33-25)28-15-14-17-6-2-1-3-7-17/h1-13H,14-16,26H2,(H,30,34)(H4,27,28,29,31,32,33)
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n/an/a 100n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1

Bioorg Med Chem Lett 18: 1067-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.009
BindingDB Entry DOI: 10.7270/Q2ZW1MSD
More data for this
Ligand-Target Pair