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SMILES: O[C@H](CNC(=O)COc1cccc(c1)N1CCNCC1)CN1CCc2ccccc2C1

InChI Key: InChIKey=GOQIERGZWAPLGN-JOCHJYFZSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 337151   
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
Methylosome protein 50/Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM337151
PNG
(US9745291, Compound 197)
Show SMILES O[C@H](CNC(=O)COc1cccc(c1)N1CCNCC1)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C24H32N4O3/c29-22(17-27-11-8-19-4-1-2-5-20(19)16-27)15-26-24(30)18-31-23-7-3-6-21(14-23)28-12-9-25-10-13-28/h1-7,14,22,25,29H,8-13,15-18H2,(H,26,30)/t22-/m1/s1
PDB

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PC cid
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US Patent
n/an/a<100n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....

US Patent US9745291 (2017)


BindingDB Entry DOI: 10.7270/Q2J1058K
More data for this
Ligand-Target Pair