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SMILES: COC1CC[C@@H](CC1)[C@@H](C)n1c(C)c(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c2ccccc12

InChI Key:

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 574859   
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 EZH2


(Homo sapiens (Human))		BDBM574859
PNG
(US11459315, Example 18 (isomer 1))
Show SMILES COC1CC[C@@H](CC1)[C@@H](C)n1c(C)c(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c2ccccc12 |r,wD:5.8,8.9,(9.28,-3.6,;7.71,-3.86,;6.76,-2.5,;5.29,-2.69,;4.38,-1.48,;4.97,-.06,;6.5,.13,;7.38,-1.12,;4.02,1.19,;4.67,2.61,;2.52,.97,;1.46,2.17,;1.82,3.74,;.11,1.59,;-1.28,2.32,;-1.28,3.82,;-2.6,1.51,;-3.95,2.32,;-5.26,1.55,;-5.29,.02,;-3.94,-.82,;-3.94,-2.36,;-6.5,-.71,;-7.96,.02,;-9.28,-.71,;-7.97,1.51,;-6.65,2.32,;-6.65,3.86,;.25,-.02,;-.73,-1.08,;-.3,-2.58,;1.24,-2.87,;2.19,-1.81,;1.71,-.31,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/an/an/an/an/an/a


TBA

Assay Description
Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...

Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76H4
More data for this
Ligand-Target Pair