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SMILES: CC(=O)CCCCC[C@H](NC(=O)c1snnc1C)C(=O)NCCc1c([nH]c2ccccc12)-c1ccccc1

InChI Key: InChIKey=YBSWVQPOPGXSFL-VWLOTQADSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50195131   
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))		BDBM50195131
PNG
((S)-N-(1,8-dioxo-1-(2-(2-phenyl-1H-indol-3-yl)ethy...)
Show SMILES CC(=O)CCCCC[C@H](NC(=O)c1snnc1C)C(=O)NCCc1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C29H33N5O3S/c1-19(35)11-5-3-8-16-25(32-29(37)27-20(2)33-34-38-27)28(36)30-18-17-23-22-14-9-10-15-24(22)31-26(23)21-12-6-4-7-13-21/h4,6-7,9-10,12-15,25,31H,3,5,8,11,16-18H2,1-2H3,(H,30,36)(H,32,37)/t25-/m0/s1
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MMDB

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n/an/a 480n/an/an/an/an/an/a



IRBM/Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (mean IC50)

Bioorg Med Chem Lett 16: 5948-52 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.002
BindingDB Entry DOI: 10.7270/Q2RN38PD
More data for this
Ligand-Target Pair