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SMILES: CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CCC(CC2)NC2COC2)c2ccccc12

InChI Key:

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 574834   
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))		BDBM574834
PNG
(US11459315, Example 2 (isomer 1))
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CCC(CC2)NC2COC2)c2ccccc12 |r,wD:20.20,18.19,(-5.18,-1.99,;-5.18,-.44,;-6.61,.44,;-7.88,-.37,;-9.38,.35,;-10.73,-.37,;-9.38,1.81,;-7.99,2.59,;-7.99,4.15,;-6.62,2.01,;-5.18,2.63,;-3.8,1.81,;-2.45,2.59,;-2.45,4.15,;-.99,1.92,;.39,2.48,;.77,4.01,;1.52,1.32,;3.05,1.51,;3.72,2.89,;4.06,.31,;3.43,-1.11,;4.32,-2.27,;5.9,-2.13,;6.53,-.74,;5.63,.46,;6.46,-3.44,;8.44,-3.17,;9.45,-2.05,;10.73,-3.02,;9.75,-4.15,;.66,.05,;1.18,-1.38,;.17,-2.46,;-1.4,-2.16,;-1.85,-.7,;-.84,.35,)|
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