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SMILES: Nc1nc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)nc(n1)N1CCc2ccccc12

InChI Key: InChIKey=NMNOHYVIIQFMLC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50373674   
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))		BDBM50373674
PNG
(CHEMBL269937)
Show SMILES Nc1nc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)nc(n1)N1CCc2ccccc12
Show InChI InChI=1S/C25H24N8O/c26-19-6-2-3-7-20(19)29-22(34)18-11-9-16(10-12-18)15-28-24-30-23(27)31-25(32-24)33-14-13-17-5-1-4-8-21(17)33/h1-12H,13-15,26H2,(H,29,34)(H3,27,28,30,31,32)
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MMDB

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PubMed
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