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SMILES: CN(C)S(=O)(=O)N[C@@H](CCCCCC(O)=O)c1nc(c[nH]1)-c1ccc2ccccc2c1

InChI Key: InChIKey=NQPRKQZBLIIAFL-IBGZPJMESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50258585   
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))		BDBM50258585
PNG
((S)-7-(N,N-dimethylsulfamoylamino)-7-(5-(naphthale...)
Show SMILES CN(C)S(=O)(=O)N[C@@H](CCCCCC(O)=O)c1nc(c[nH]1)-c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C22H28N4O4S/c1-26(2)31(29,30)25-19(10-4-3-5-11-21(27)28)22-23-15-20(24-22)18-13-12-16-8-6-7-9-17(16)14-18/h6-9,12-15,19,25H,3-5,10-11H2,1-2H3,(H,23,24)(H,27,28)/t19-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



IRBM/Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of C-terminal FLAG tagged HDAC1 (unknown origin)

Bioorg Med Chem Lett 19: 3081-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.011
BindingDB Entry DOI: 10.7270/Q2P84BSJ
More data for this
Ligand-Target Pair