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SMILES: CC(C)(C)c1ccc(NC(=O)NCCCNC[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)n2ccc3c(N)ncnc23)cc1

InChI Key: InChIKey=SOMJJYYPSTVHMN-MXBUBSDBSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 121394   
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-lysine N-methyltransferase, H3 lysine-79 specific


(Homo sapiens (Human))		BDBM121394
PNG
(US8722877, 20)
Show SMILES CC(C)(C)c1ccc(NC(=O)NCCCNC[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)n2ccc3c(N)ncnc23)cc1 |r|
Show InChI InChI=1S/C25H35N7O4/c1-25(2,3)15-5-7-16(8-6-15)31-24(35)28-11-4-10-27-13-18-19(33)20(34)23(36-18)32-12-9-17-21(26)29-14-30-22(17)32/h5-9,12,14,18-20,23,27,33-34H,4,10-11,13H2,1-3H3,(H2,26,29,30)(H2,28,31,35)/t18-,19-,20-,23-/m0/s1
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KEGG

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Similars
US Patent
n/an/a<1.00E+3n/an/an/an/a8.025



Epizyme, Inc.

US Patent


Assay Description
Compound was serially diluted 3 fold in DMSO for 10 points and 1 μl was plated in a 384 well microtiter plate. Positive control (100% inhibition...

US Patent US8722877 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KKV
More data for this
Ligand-Target Pair