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SMILES: CONC(=O)CCCCC[C@H](NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12)c1nc(c[nH]1)-c1ccc2ccccc2c1

InChI Key: InChIKey=UXISUTRBQDULNG-LJAQVGFWSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50258552   
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))		BDBM50258552
PNG
((S)-N-methoxy-7-(2-(5-methoxy-2-methyl-1H-indol-3-...)
Show SMILES CONC(=O)CCCCC[C@H](NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12)c1nc(c[nH]1)-c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C33H37N5O4/c1-21-26(27-18-25(41-2)15-16-28(27)35-21)19-32(40)36-29(11-5-4-6-12-31(39)38-42-3)33-34-20-30(37-33)24-14-13-22-9-7-8-10-23(22)17-24/h7-10,13-18,20,29,35H,4-6,11-12,19H2,1-3H3,(H,34,37)(H,36,40)(H,38,39)/t29-/m0/s1
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Article
PubMed
n/an/a 34n/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